units: cannot open included file '/usr/share/units/currency.units' at line 5057 of file '/usr/share/units/definitions.units units: cannot open included file '/usr/share/units/currency.units' at line 5057 of file '/usr/share/units/definitions.units units: cannot open included file '/usr/share/units/currency.units' at line 5057 of file '/usr/share/units/definitions.units /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1804522708478169 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.19576320194669372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.15323424711947675 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.15961605862664022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.18424076378146817 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.18436171419508865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.18033628418765163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.18400001239701114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1854788694228805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.19458491919017562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.19535972457178186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702664237108913 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026692270074806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026688543281177 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026642087180044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170266340225253 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026631803689807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026659526876142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702666298877631 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702662818956463 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026647289224484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026659350271955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026599174222168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702666688416704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026631086952715 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026656417101627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702662054911599 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026622115582912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026658450257692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026625722364408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026667688379393 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026655663372936 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026649261318516 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026652296407463 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026664161353589 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026739200670604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026662989983055 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702670220383845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026700157970898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026697616669895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026649354951617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026677710802807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026671341674382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026692549176814 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702666333693894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026712275472577 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702673357323795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702668966838261 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702666099177691 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026717566631933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026717837164007 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026700397766914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026652726692604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026725230879913 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026720205145807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702673927026418 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026663690414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702674478135584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702667608985281 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026655636906152 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170267071778736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026736813535714 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026702071272193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026741478342233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702672878310355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026725611951654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026753918939497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702674235819963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026753827895635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026744772612723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702680040723662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026734818167588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026788579478414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702680473036845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702674767456379 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026785046942772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026812213642428 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026778499389117 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026755408833405 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702679268178262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026777020812367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026782132690055 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702679999959853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026827907711228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026816908192477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026811571352063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702681437310506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702679419376396 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702677646650459 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026783959391967 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026793827067666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170267733356544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026833629351068 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026816866157224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026850603858557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026851679418864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026816367375963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026844727941504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026807035330904 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026820851938318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026845087932574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702681765305749 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026868434302833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702677709692173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026832254134316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026824987838296 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026862124694464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026882744625949 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702686076509844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026871367719465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026835963392573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026893761883866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026893731011994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026889670926315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026893754271488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026904802448484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026893254286546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026865974464944 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026896959730142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026917736706348 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702686860871775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026903748362343 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026893177054903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702687505924828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026887669297275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026869823084012 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702690982071382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026868828037145 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702693052272667 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026841454633823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026871529700727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026875178933365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026880458815674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026956056496734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026930770906834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026930375092542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026907755089238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026868132754225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026909632672893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026884194993053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026860956542234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026908379890116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026862767421502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702693756860474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026912140290817 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026852583768504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026887886134612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026919353810022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702693623613033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702691161629204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702696225229593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026929012469683 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026926343251958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026945208627586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026980469623665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026910934038453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026949178687945 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027025834540177 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026968675186693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026970773619543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026940095215215 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702695237648124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026917238002692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026980453185037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026950189471757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026932253330906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027002757392196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702700983982819 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026952038175347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026949900434363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026991412552472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702697812730567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026972634233473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026983277202856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026923513594194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027044614125497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026986286160195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026959955577659 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702701061840629 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027014470229063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027011816039495 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026973081100327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026975893188834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026980697444993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026978572261764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026997185877268 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702703028727034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026958640505985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702698516642085 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026949795528967 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026953974383985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026980166413974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026977188696812 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027022508794787 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027021172121803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026968025586753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027009337640786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027012106327621 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026973134280543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026964871120176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026997013539613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027016760790215 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026976443441677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027032145147436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702700540643426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027044686111226 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702694286308526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026980848787743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702697943738074 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027054680795017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027015461609596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027023364542837 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702706705883934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027011093324074 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702706253650772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027031448085317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702698148868933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17026970458713708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027029597706378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702698536257582 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027040185514275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170270711311445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702705537490462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027010121849795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027029017347095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702699259396866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027082834534524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702699299836543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027056343239944 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702703904527002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027067342222169 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702702410014605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702708739186829 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702707110488919 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027066237928967 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702710992980434 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702704876648441 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027106214858811 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027096056641233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027085769377515 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702701766984991 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027055378841593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027075639862488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027126317791674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027111806538497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027111865462097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027143599370276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027093517182568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702710709000087 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170271222254892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702712720045788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702711853968687 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027073345466615 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027100551570107 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027062773552992 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027160207495795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027107687169363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702709371973664 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027108801575142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027111791354088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027070620598495 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027101818856527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170270717863918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027099748185615 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702711519156772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027128121711188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702713592325068 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702711339954952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702711320937832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027159662137947 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027160185784385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702715864163531 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027183459990947 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702715480840391 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027184698358766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027182344652658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027197764092572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027198149873402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702711906843939 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027148151825622 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027141148320724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702717516249237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702715173631285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027189384893382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027180047179502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027213043963918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027149158372068 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027155239741498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027213427738608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027153468238942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027200160461875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027210008621718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027228228909363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027181628817278 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702723587292515 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027218480984696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027149968020827 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702714204064092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027203720993678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027202258765173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702718354928351 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027245982177575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027228051256382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702722326820192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702725154921665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027189999231396 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027247389974542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027179553477156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027183858628891 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027242252260166 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702726335160285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702723970691552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027253477429682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702723344266811 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027251240133545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027258998839423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702724199545701 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027236592890738 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027205690273106 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702726862165741 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027201461950592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702727697394717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027236368583032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702724082035768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027276549587755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027264970374745 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170272911219717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027268644664795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027268961574438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027259452433918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702727785180428 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702725045442448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027260912761266 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027283298372153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702729653516717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702729367296093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027272885646694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027259304011788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027257069308155 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702727047879975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027273457487824 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702725671340074 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027214867661833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027271932244414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027312245776505 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027312328193778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702725137934472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702723074812762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027272724783404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027290117962723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027300286299418 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027276946637948 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027327999762853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027330871561064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170272962356119 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702730107708117 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027318189775165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027310102148963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027343545401952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027349678360582 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027313079020479 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027270790237325 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027325273638394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027319071865377 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702736643887629 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027321823147923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027335322775683 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702733771212902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702733478768309 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027325919403102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702734664557667 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702731372485038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027311460907602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027367554857564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170273125405066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702734233642148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702729626029572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702731967691945 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702734659362446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702732769817823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027280821502577 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027327373582102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027376996787602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027337194773273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027306087951366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027331592485317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027333305370884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027354852502863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027272279745975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027303103539937 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702728250922575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702736638296849 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027321750041313 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027356003426086 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027321980709953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027395250864286 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027305334492981 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027293097994234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027313460065052 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702729882395425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027286667120645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027355583489745 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170272806126472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027335822366507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702735717027497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027361644895933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027350692246102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027316881294086 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027302986718051 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027336073069643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027382201013985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027419219205575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027297129823105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027372174844657 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027336237222157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702734482668895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027355483689866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027353055589256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027388673395127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027415373116872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702741397527553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027370171639244 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702736645624212 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702739231515361 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027336732357656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027378151898598 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027369409350357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027369337098175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027386318879656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027399186784153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702736101097445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027398085393808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702740777474775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027343275181495 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170273430602629 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027382095931365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027369839635587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702740159591104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027411567453232 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702741658001169 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027404614551156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702738326317017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027463900130757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027417326222327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027408640209973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027460425336471 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027363259416406 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702738455953281 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027378809263494 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027373401204438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702743162678999 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027370108044038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702738528096831 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027436494133552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027461243701147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027446594359041 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027458354912794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702746509545776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702747060221934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027410609043314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702743141945242 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027432270493426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702746516556526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702745814895963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027425521254125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702746314304575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702741142675771 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027424092260113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702743547419594 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027468349083008 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027469456750421 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702745074739811 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027455814295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027416389858607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702747773856771 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027441923679298 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027455102576472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027477749123165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027411516134106 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702744908101207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702746239704741 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027407180973786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027435799680557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027487112807083 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027481754844642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027455916851542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027466422136417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027496245295493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027465007633957 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027499241266386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027518048385892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027421501237683 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702750866124303 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027521490491326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702751769877211 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702749176121785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170275305632538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027507155123167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702747679288984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027572861795004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027536535548848 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027432291528632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702751187657484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027486245132062 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027508712591122 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027541514876932 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702745945167684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027576848102277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027556489281437 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027497815337111 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027480564482944 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702756293161296 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702754394559869 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027525780507324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027453455553054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027497868780916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027474149993993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027536062724236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027530124714896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027509399114638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702756203905338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027526358368983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702759404578581 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027588136635208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027533213259916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027584652156125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027591347657878 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702756429827822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027548952725347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027519390041546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027528280550297 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027589453963876 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027591867510738 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027626580902866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027555488576052 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027576663379773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702759489068214 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702760354006868 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027576780048226 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027552713308103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702752235759648 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027555371481895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027624439530586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027529932530905 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027563173177152 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027569202891257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027632118181335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027594341537733 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027525555865475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027587733377858 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027589625061723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027582955388854 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027590920183322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170275960656333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027613834410849 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027564653257776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702749202430699 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027578489574058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702761141802902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027546071859045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702760374690233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027579279850213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027621009190397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702762036004588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027588565894614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027561026584348 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027687423212678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027574880613205 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027617640407622 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027640068461336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027622062149195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027640755537432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702762469693636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027580258658648 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027672527279003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027628084818058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170275915913777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027601287828276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702761655113787 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027675779681428 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702760437121582 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027623486250465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027683241543246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702765986278142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027671774217623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702767634497223 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027699665870022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027690473070745 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702766138159122 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027698808638947 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702766278242952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702765575182449 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027678072839125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027642531047982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027672678363526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027613083489557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027625935856472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027658617892338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027680052017335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702762838721289 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027675791786379 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027712994279387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702767177871478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027692713304432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702767094236578 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702773651567565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027783296844234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027720487909148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027715490761364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027804238410482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027696022682726 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027703888044265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027690230686077 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027727857175545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027698865161733 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702775050633778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702769509194655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027760942120684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027772203129843 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027741455771883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027755651150267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027765799725791 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027701152875263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027791083301358 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027811151069927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027845634109195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702774915035581 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027726800356524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702778848123624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027727963856165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027812499091866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027772054765533 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027758551787997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027785301379195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027702759646457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027771463985564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027813493813504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027755430680214 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702780760819076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027787874289946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027768887006933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027757771461893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027805842272659 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702786950056483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027751067953956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702782303182917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702774617456697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027834041103895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702784709684516 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027799802729837 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027796525379513 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027782785982015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027800741719346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027821495852602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027823856365043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170278405290901 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027811372571677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027791955938976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027811336062715 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027736348411027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027833235203305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027789800668225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170278333410124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027827043875288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027894170026836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027850884462803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027859247686816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027867579243317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027841561052492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027821899955453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027824194594432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027889414099828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702779957394478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027848924535838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027732987536726 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702779580853634 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027857321901163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027901794315614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027866921060852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027844405210946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027816836178977 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027861773713104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702784377814074 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027866829050975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702784524817451 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027864945343385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702786104994004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702785015885132 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702787339130606 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027898874139147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027864550169403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027864087027722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027898430214417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027827964988207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027880625407854 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170278390703833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027917290012173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027872725236448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702787118314112 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027921369827492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027815070250063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027836561390253 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027882678155482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027914222793195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702786254005232 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027857183237916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027898730752433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027904400012106 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027916603101034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027924390221216 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027894034571078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027898181155487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027938438099355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027930630550014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702796505237778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702790562117681 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702792926536406 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027905760835982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702790694306774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702790274148479 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702790898954265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702792309470429 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702791515117391 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027945241799602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702790994960064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027929977069245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170279392637379 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027966241196968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027908828620053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170279176312767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027994050713402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702791768580375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027998540825728 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027975546124252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027938782410645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702796697138037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027943142272828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027942332391177 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027950891257082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027949565704825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702796297946636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027943368856857 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027931826686304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027948284292593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027976873420125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027935358530988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702798626466534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702796627273374 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028000589295766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027980585470925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027989324371506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702800947786638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027981192686148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027972350717469 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702792035171552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027987463678074 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027962200929514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027980755115946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702800708900405 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170279454588239 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702793786259713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027981946731097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027992193196861 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028029337784567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702800521461505 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027941473804398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702796286604772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027946450515885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702798142045232 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027943815164637 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027969947657595 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028051160072155 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702798850247358 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027986220719682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027993130060626 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702803385937316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027987004781542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027998466100225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028021231141854 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702796516889311 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028012637387868 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702795731016844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027998097234698 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170279877488008 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702797952006091 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027966693115704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028020372028763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702802004685724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028021483181144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028052040146213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702796809710888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028000444739433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028018404998468 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170280007823418 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17027998277366785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170280504874745 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028055940416398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028091479952656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170280436438917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702807259153647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028031600131588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028089834794768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028058212573238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028077737337888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702803780910852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028065390591351 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028017058596534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028086324141445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702801928517933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702804978337754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028045668908942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702805854625804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028080920011868 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028088719841483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028026683373298 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028022168381662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028059477025137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028098783512535 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028060741303397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028085333914988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028072166241914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702807276040006 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028067282312942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028109709730432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170280854908488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028096530922365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702807386205497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028100312642314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702812715047326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702810129591148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028080252813238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702810360054423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702809283589325 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028125012978057 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028103047497156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028084149149636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028086037962442 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028121288014586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702813382282029 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028122477871832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028074699842588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702811460008108 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028067470644614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702813524954483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028098907572176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028073627323714 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028154191463418 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028118470303233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028123523265914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028159758327488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028177144100143 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028112619494962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028136349121648 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028117911472151 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028149292905614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028098832899952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028110513544747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702814021835688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702814099566763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028150331418246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028114355143908 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028072379631398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028153556198067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028139576036116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028133424640335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028100877876495 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028063533529714 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028181197094172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028133054591144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028127388808545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028225038972544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702820099672575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028146569660563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028126569246382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028136264927474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028152133432206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028173562794358 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028177282480883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702814788624336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028162004977343 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028150078823034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028222271359295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702824596753718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028224404396852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028182123255786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702821270694005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028183248792939 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028134750005575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028192017463883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028212482543892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028174557624887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028174967771537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028236942364994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702818631305566 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702820024083329 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702824107626868 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028215525309265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028193867164598 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702817850629481 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028228570312953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702820004175737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028213354483945 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028215824512694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028182270333536 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028186877571372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702821121292637 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702820894493513 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702820522020344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702823884784429 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028250051449279 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028232511079366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028210006685973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028231691071638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028230304701053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028236216331516 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028217508539667 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028214920213058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028289494599602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028218826634522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028184178139172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028307737452708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028295894089718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702825901840469 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702823108586694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170283074521006 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702827161748588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028254166379198 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028305190500503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028282908724335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028277558008076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028265219466676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028253167615925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028288128457247 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028293642989012 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028315283584883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028279661605572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028290560703851 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028312902712406 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028300024289578 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028332392759837 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028301594875972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028284082653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702837006226089 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702832284808976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028383046187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028336780737918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702831366699521 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028294372443653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702830749890979 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170283495498193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028334766356457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028332614459896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028350286153193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028339381449276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028276309267953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028358944076383 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028307247794638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702831566090015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028325440943604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702833062070468 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028343224817466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028318630267447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702835762373448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028384259044027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028379742202215 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028359703349516 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170284305918027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028326004978667 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028430428310315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702834324032172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028337201567734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028407790818856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028349644035357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028354603306495 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028352219629228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028391226205697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028304642614145 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702833561243342 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702837028454578 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028313797998418 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028342245382477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028371218349725 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702835745350716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702838910176504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702836426383686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028372712710682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702838955524958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028375878903412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028368324521792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028376132584477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028447234548783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028370208425636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028401725865783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028393620975601 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028369035355273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028409776260356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028392628702183 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028404373279882 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028371081011606 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028372908897405 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028399065232147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028412259412673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702826963113514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170283783389369 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028393969252942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028385009279334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028429248032717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702842912150757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028427359860576 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702840668759551 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028464862632076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028425538993075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028449553969804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028409483074192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702839818076849 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028372947542925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028403917728097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028493518743937 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028418423817981 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028449908216126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028400436236224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702850066997874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028449560141246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702844916310874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028409803407485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702844510710868 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028422460960246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028419598527467 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702844095881203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702836910951553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702846596346167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702842336523016 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702845136697021 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702843864464214 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702839550030103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028440271194256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028426502510152 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028531039299022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702848941890256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170284845644868 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028456100850875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702848681746778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028457943661623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028517639289276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028427575444893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028459289696285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702850986700718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028474500455504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702851007265893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028466178513213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028435853145318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702849959303464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028465389834657 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028511046841732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028509509377454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028480712346394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028455729863468 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028480372792065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702850364712435 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028506750934314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028534762341951 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028489785147638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028464645723362 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028491518694966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702851008248808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028505083819123 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702849469058666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028572455830293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028437195792867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702854060990846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028555396293488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702848955495846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702856606849481 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028546462096583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702858090715773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028502087953346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170285054973898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028537994405435 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028522590840844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702852612293766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028538338357602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702855092581964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028500985532524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028541274495224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028557266835298 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028508155581357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028585341857294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702854245554397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028513142429547 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028550473499737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028530861095426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702862382818855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028583415739318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028620836609742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028537508204522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028545196650735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028558105266078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028506506170682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028554176013178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028525017957263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028541387610108 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028557243653863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028454595498999 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028505137859185 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702852076507333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028618731014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028537650091857 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028557826725121 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028577355463304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028568297992774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028563803271723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702853767471928 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028609231849168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028578491373847 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702851736508847 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028591582489816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028528269550314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028567830199048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028595423719828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028539205953153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702863922413299 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028605246176365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028614154911825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028636420107812 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028607307450994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702857012226946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702861162463848 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702860696893881 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028567521721094 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702862401685905 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028567632033875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028570431546253 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028632593705129 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028579062758264 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028629572233922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028526447032954 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170285567573076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028608204120688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028572843663137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028549739000465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028573927735713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028626558611493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028657871748876 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028634749316118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702866197269215 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028661189385452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028627177718658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702863550606648 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028657712408035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028637107544686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028658823683973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028613127050052 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028679978566186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702863151072993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702860973711645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028630488880647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702862675874306 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028648845760297 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028652810284062 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702860424368674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028645973718415 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028650972394488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028672143157886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702865518209319 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702865993497059 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028665065756288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702866298464526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702861608282068 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028649120657802 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028678214160498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702868545295766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702869853830643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702870972016276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028703360936015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028644688541328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028690118284984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702875958420943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028673121169413 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028685220332485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702872773506341 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028646418726723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702874709288631 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028681016386182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028738668989696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028698711167756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028705864365568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028761581954466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028751068528447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028737469794897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028662687208862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028678865669034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028783600348818 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170287098070677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028760608208116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028763976126593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028789577163983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702874937154737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028714654883026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028696788987474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028769078683126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028809338221862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028790556204298 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702873301691723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028706443928798 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028725982229986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028784218135207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028775697121845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028770323573506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028774105309463 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702879133398706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028748499202984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028760195877146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028732500789878 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028794477068765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028776435658732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028825069702536 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028792715214436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702879655068521 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028748424949158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170287863108479 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028840063769957 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028788299445974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028736562582603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028799837839725 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028779054857646 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028775815053487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028836406736192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028768161151497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028793142785836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702878439604517 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702882900371635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028818732390882 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028807890569375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028846607523795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702877631157811 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028823612088717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028817585940326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028820133913236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028838372775523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028854158955853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702881831538945 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028860510053223 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702884675907952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028854658743775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028847904500644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028876352592104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028878480181975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028771286608102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028859476526703 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028830784006843 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028852889353174 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702886374413326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028875107145847 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028883780931758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028864615244355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702885217029686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028827038447014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028860864424444 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028806291818732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702886880010578 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028861431421694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028865168210217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702890752453612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028909175719698 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028883853000965 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702886600434549 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028860732669748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028884996611726 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028832377460357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702878132233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702886718659754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028888720038693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028840243008647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028805758620802 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028879000551655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028906498294238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028946522410204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028898119344182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028848672599095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028925973269904 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702891340526943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028830120057947 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028882431917292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028882396701073 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028895769052532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028882176944193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028908849434676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702891078816079 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028929219414402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702893143692471 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028885184524034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028913423916903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702890187505567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028945350936786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702895981443382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028881577443422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028905207430656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028905355947255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028940646149848 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702890670598386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028955190089612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028944525152745 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170288482609661 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702893714478234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028925547836427 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028877898811168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028948640971986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028977813263924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028971009018667 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028989836023567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028972241350981 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702897140899271 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028985694430943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029012376369113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028975663402135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702895672469542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028952334510417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170289594445876 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702887587715307 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029021440630543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702897693135752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028924994916128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028984011173642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028979817486056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028973719145069 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028929803975568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028982619199184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028989458486365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029006534929014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029023343872862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702898352833223 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029050337990026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029011143661854 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170289919029473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028986763280685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029020792077543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702902600178049 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029037703383298 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028955034962956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702902744194429 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029016520737628 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029049081941716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029002646712077 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028996931755835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170290410378671 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029029099938142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029051806616402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702908335561868 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029005870693836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028967383564286 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029066469579457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028970687746825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029076535653753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029048126882929 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029059511133093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028978325336452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029080668523333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702902436140059 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028999643273057 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029019207024565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029082479960223 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702898163611083 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702903313774511 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029031280683649 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702904284747514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029071688247654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028997239766464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029059553137915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029018126369555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702903709765008 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702910933825743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17028998028492537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029025396827668 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702906388399127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029091026950216 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029126781157689 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702903647121241 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029021200679295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029096411028433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029033640238045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029093919208027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029145512700472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029116098588515 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702906814591303 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702909889130323 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029109808310883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029072177319848 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702911287180371 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029068666119562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029130276381976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029110119873037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702907329141362 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029151983852575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029127229095564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029096900242047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702915948980126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029086055874953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702909668541014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029084249258164 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029098024041212 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702910028705833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029107237502283 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029113801557016 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702911857356747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029083678919132 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029121414294113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029164496661864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029168339632372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029174519515922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029102599641832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029157285894359 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029186099453542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029159714602504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029139767300927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029167637733145 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702915775238184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029195463608204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029155871269708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702919059275717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702910390812843 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029166420625563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702916807157553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702908739544745 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702916362912842 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702915817098959 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702912511195036 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029168781583992 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702916740370607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702920500514371 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029152036472506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702909807845414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029181722146125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702921044412804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702908894405002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702910234569578 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029143956444004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702913018087331 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029173806212727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029157235814452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029175251386686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029195605101832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029172904568468 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029221917653814 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029146185373611 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029270538104102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029271844636007 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029188937072348 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029193810668986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029209590951322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702920969387255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029225568577688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029234557263762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029226768593364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029317260717836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029219259708062 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029245882103483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029230103803406 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029259225712734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029239952122355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702924046640003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702927915190845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029263075321077 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029242168561443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029260061470786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170292877563211 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029286751942652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029255588074155 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029296554691287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029237582523993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029317560453805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029208088750125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029265627964696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029308347187455 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029280519385603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029231231657638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702932686003208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029288467377812 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029324158069792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702930294555396 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029334526288487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029285992833565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029324258371115 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029326852023818 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029341025142208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702929896120694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702925868208811 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029282971138282 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029289708649542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029360925163795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029293673719448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029330861472403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029313981633987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702930350656613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029370200695326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029323985852562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702928448524179 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029313715937489 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702932143708472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029330977946933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029333815430625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029386485119302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702928320111774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029381894159656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702933152279983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029320690741567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702933549448986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029337122572208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029280984580863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029353219627752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029305436323416 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029313725215867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029407944875585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029340915155544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029384318574914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702935828183585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029328138685806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029357523802813 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029344974667893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029324003738533 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702933673609478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702933759764178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702937971010584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029346755878894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702930437436646 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702938535956059 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702936269140457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029370014589007 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702939818646878 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029373433094508 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029344065151908 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029366208884245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029404704104456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029309948339644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029385363274663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702940219357737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029319753124506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029386017817527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029390530767574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702942317308911 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702938730942969 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029360590830345 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029394026685352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702944234040793 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029368804540002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029365161110688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702937982325421 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170293840968743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029451118803474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702932637264063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029344194331364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029455861758136 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029425618738014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029423841525482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702942655917592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029418566320942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702936394721709 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029405796244723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029413348966427 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029385817701337 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029396093262084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029406677206638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702946527686141 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702941858026833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029418804629304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029439506667587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029471467675417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029481725428097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702950296464416 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029488740342769 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029452717223592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702942599057834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029468006767234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029463881865925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702943047417077 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029490724030527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029479163134476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170294604143724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029485458627613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029489039487233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702943674515438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029432208341522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702946953065141 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029480420374055 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029502332626212 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029456449316394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029480399997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029509081634508 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029464710369768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029495305308073 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029539463408294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029549503893804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702950491444526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702949876868164 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029605495710542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702956927678716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029535758780534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029462982593968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029484073552748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702948245669259 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702952232644711 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029481492268939 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170295079935755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702951893170871 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029472141766078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029518499881524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029518190954174 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029590114012683 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702954409752112 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702953449178931 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029521171752637 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029554391306845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029557555808095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029558435827774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029487883049088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029535808671115 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029586419607312 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029532993763763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029566408714825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029560666914334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029526037445142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029533216334536 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702954219031444 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702954925604533 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702957181618141 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702959614668692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029589209571916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029574496575817 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029576153848014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702958235985339 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029533699484767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029608339096935 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029603427264728 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702958644969449 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702957405120049 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029559350153423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702963107200246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029584410009624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029614469149013 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029616274718062 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029604813536947 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029631262272305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029596354245846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029639315064526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029651042764704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029688053191816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029572788217173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702966321948165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029600682271107 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702957905555912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029612053511223 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029563581076024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029666525473708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029659856492574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029637828054422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029644674569555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702967727003738 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029633612028094 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702964325577544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029647473518383 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702970048437511 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029696646083847 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702968854892366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702963706176509 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029727335760525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702962653784822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029606341948267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029683000372076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170296449146486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029678472149556 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029692986810596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029683377226945 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702966374654563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702964820333429 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029693768263787 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029694638190673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029693612543462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029660162519222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029735607781382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702966762793896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029622713544879 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029706689635582 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029676810505623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029692298839294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029677996172776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029651874957985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029632692837426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702966554595301 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702968189810894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029681763538995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029690762227445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702968363452616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029650954587416 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029673151321334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029673098539166 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029695455243132 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029691146942738 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702969548502049 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029675348239115 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702969170957277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029738241001824 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029667888492472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029703438679733 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029694858308675 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029776757877546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029774633586026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029728139880962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702970915449762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029765149910625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029789730579115 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702972412916124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029776639218497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029749366677516 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029713091491694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029780066903255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029748395642408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702976623197482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702979139157409 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702977197809703 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029752795772368 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702979174573529 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029766969089943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702976078029188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702978924372306 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029729037686636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702976931134017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702974724412114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029741193369097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029720566822604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029735394579804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029821691413538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029754781894657 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029778238464266 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029798643377758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029772636881946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170297902973769 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029890854533003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029829184776568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702974818297408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702977844315433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029737848018867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029733933827684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029789519376792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029786598029928 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029863324806538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029763071594106 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702979685307865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029822451369958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702981566883327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029828382598577 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702983236394534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029741440822443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702983624377682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029864603391465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029857126763315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029858252044838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029806351764787 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029869945795095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029818079080228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029760871975885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029815404246285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702982007405892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702984092162927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702985579334202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029856900898388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029841432600246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029870354858367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029847553857902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029853994210087 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029863473980655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029858524796004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029883225018327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029897146955797 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029862333255064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029852930667433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029874046400917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702987671563454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702987879156701 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029794991482405 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029911579472523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029874830995495 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029928023279417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029892654542922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029843970183467 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029917420613638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029949530662347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029929765116503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029870373437472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029902329111812 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029903754312314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029918064781846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029898203965232 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029909972132462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029891055295754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029943262375846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029828832958982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170299816283632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029836288148548 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029902594554447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029907439664183 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029932859896535 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029945738271157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029959706377196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029869151455168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029957442423238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029929131441324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029927150478819 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029936133061263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029888680067673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170298624074937 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029926130632933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029891778501516 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702991678962239 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029908002695238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029925197996476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029912253609747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702998800326474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029917133036399 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029940575838254 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029992975165653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029945184920892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029994130988124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029857990096786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029952610594312 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029915402856788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702996976512421 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029979304414522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029959776599457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029901294755379 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029954641546874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030006643899998 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702992271738336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029952803012383 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702995373848375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030000839594528 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702996313776174 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030006541114473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029981060748212 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029969418600255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170300083170285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030033136686484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030032710295961 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029997795552843 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030047132020454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029996155302995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17029970333489275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030037761299743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030066871835137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030041700307497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703000466142618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1702996970801366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030042351807573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030013964901292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030006192051494 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030022421654423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030034042371034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030042401606615 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030087479762368 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030115537996338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703005911690234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030061418584974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030016361615585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030102662626134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030093303466465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703010705249296 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170300986900922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030093719556672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030064732774874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703011052576625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030123740489356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030132168242473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030098535858618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030112509050488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030071394128798 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030094885282954 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030095891510455 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030069719857166 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703003243633765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030051981285088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030107784629633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030068095824158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030064743417306 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030140521987325 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030082208131458 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030149998951327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030128225467456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030099049072167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703006964539352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030061736902302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030159427007796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170300531219983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030142186326125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703011024422244 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030153863717068 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030135199449292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703007024208747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030195144114502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030110469292614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703018280086529 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703008199773317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703016289249285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703015751581506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703016651990571 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030168086296682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030169705597564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703020616812878 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030182490391432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703006798276817 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030091220798205 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030138008472806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703016702405512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030192686037282 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030222132843542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703015917024706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030153812649818 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030220887805736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030152910234297 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030086842881864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030145250832152 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030199557641645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030205054569802 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703021833347207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703014503220983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030215546096072 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030217756451393 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030154234378192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030171786592574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703020758627628 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030133828196414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030164204804032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030173528154846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030290327290976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030157687756886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030217862158947 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703022141629189 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030284217999503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030181910607478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030252594125295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030155135720215 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030166673293423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703020656564832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703021478039385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030250372633915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170302432743489 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030298997600612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030226564340234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030215086247635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030239051137797 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030250427868066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703022649964746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030239605265962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030267609424932 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030238176331924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030293709983413 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030324369264593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030292703962624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030288292742124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030309920754017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030219793629464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030217909924406 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030218926655738 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030245641269048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030207537429565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703021378877253 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030304908102545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030320226438955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030275737814116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030271223934523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030311315779978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703032483580471 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030219729470697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703028374946678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030278478230432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703028194391304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703027595431843 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703023082451378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703033106871661 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030355795941132 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030341790349046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030353348322935 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030401092883518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703037088684518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030381529000205 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703036480958906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030278270964327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030383577060493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030411178079286 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030332837813755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030331715767089 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703029725929821 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030350230472968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030397828240051 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030368018286168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030348312718424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703032237045572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030317363365777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703037455083265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030287621813067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030370797777883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030319769064273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030387485730059 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030429028414318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030356533670077 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030393427912205 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030323411114068 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703033990197027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030379583221256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030384217287764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703040697519933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703034955282713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703031472995319 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030379073894675 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703037735040105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030370686265905 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170303099957273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030408701965338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030334171087624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030399518943595 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030462511778766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170303971066478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030392191877153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030378262848367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030396031853967 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030446953420997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703045366577326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030397453908575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030440475629538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030421208008784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703036813481581 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030415200812188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703048628584345 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030492486843862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703045619189536 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030390912676852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703049763864669 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030430002884944 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030388828925014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030382389373333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703043765830402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030383485142808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030390955585584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030426925409303 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030380974988302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703043879316234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030434032013964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030445678072892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703039805286778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030394379716152 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030418708904826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030406435635514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030436726508658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030430889800208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030411126046674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030403374692393 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030377212675452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030306759460723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030444350803475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030474081948588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030448478653215 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703042745443324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030397086808025 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030474201322965 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030476084209356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030529632049374 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030425042693642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703042848068379 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030467080973466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703052616803894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030528823664015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030424865973803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703050064388244 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030503699132027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030490282189803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030455488941054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030435193004267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030510935399668 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703046239467173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030503713940215 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030549975384224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030537803188517 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703051663746502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030517254252953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030576269852082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030535653909773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030547690087372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030530582618475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703053097183983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703044161611803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170304756820033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703047400672575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030486813322376 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030584628853085 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030464362516984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703055373168466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030534964029476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030522977842322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030558595446088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030533876708964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030480225120115 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030570533199285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030513726132646 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030618095758043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030506665637635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030456283190276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030446715156844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703048537659575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030542365660006 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030454614488588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030465310393494 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703047531331663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703049549577791 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030518687437723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703053580015873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030541050059134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030503546294362 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030533096362133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703049283593968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030467555253992 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170305442828649 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030513983375972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703055154967259 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703048823647676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703055917705072 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030585169243218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030552007429367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030567330199753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030585370167228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703048235442296 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030564732693265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030530394465826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030522333542408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030538102434323 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030605458200865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030532922126218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030570416199875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030506261860745 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030609178729816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030639131264236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030568895180032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030522103141477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170305393778995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030554172766021 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703062728721625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030536987190137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030643140286783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030635653058712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030557357511578 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030562908457125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030689369367757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030631758239378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703060706202364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030687392994814 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703055961566854 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030593978301733 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030621573175775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030576276525078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030580475749657 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030619506310807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703058500665956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030598186577506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030592337924344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030613892135782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030616514736752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030604533073568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030672712056083 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030676247650733 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703067854703183 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030723402240466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703072696015031 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030698451634418 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703065175585361 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030668383704772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703065292341963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030660544598986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703068496145318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030677356571366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030735246430728 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703069971225083 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030711358546435 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030691496022443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703065902339459 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703068733190397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030671317121615 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030751073557127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030676393645416 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030697205124468 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030747850618366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703071589499724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030701168605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030786304606782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030753302677604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703077848631559 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703073841039705 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030735683372866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030779802972806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030698834385105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030734029925498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030703082497844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030700355826478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030638885829508 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030692317341634 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030682711385103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030709281505652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030694585577144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030790037076915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030768270930163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030764176222402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030725965713178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030765619380128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030788245920692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030748644781513 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703080387592708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030756051932394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703078313680103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030722427258127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030741729798549 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030814541053751 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030790041772237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030811143904612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030800463498819 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703076719728681 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030779801407603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030788679376652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703073134344263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030763560096474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030808877339532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030764432480894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030798087727395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703075026338159 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030727318040884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030791164644887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030781228450165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030828841474221 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030786292576428 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030839960721555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030840485603294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030808963484534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030788685143572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703078668772795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703080503822909 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030826144505928 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030875826638425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703079912998665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030845031274167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170308443516197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030838403389126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030827192434117 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030818355029864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030762839970315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703084488289376 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030801110238625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030816275328764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703083045963376 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030881460063862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030864368009702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030795752636718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030829619557908 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030912294110268 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703089119569412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030864171466154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030834687326224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703085159413501 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030856813872786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030884189935402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170308740983251 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030838851525532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703087477620534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030874745242386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030868943355282 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030921479311856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030882112234125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030881137488907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030880907213886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030899527560772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703085865948658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030884849263772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703085401753851 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030912084037408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030866926656207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030909288143214 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030925645456074 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030878863042698 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030845911762438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703089135012117 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030922338559995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030906153296088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030887439583453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030936610532044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030912797264441 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030881424810673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030895841850346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030850451709456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703093261934524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030909212298528 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030882709545625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030906117281253 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030889668303073 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030838161980189 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703082335141699 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030877535553046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030929261193972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030945857011237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030937413465774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030997836881956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703084117487893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030966625727784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030934060527425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703091061817673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030928741494544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703090695518531 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030867630027513 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703099811980775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030940836264263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030938519174055 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030946459845975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030950350572926 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703095161275412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703091321068524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703090465813426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030927318395628 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030973361813517 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030975059295728 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030946231371324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703092081979768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030969158119413 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030976658146402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030961297369285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703087512788667 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703099002490539 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031007431227596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030932918986585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030906760271625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030946657352963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031043535423485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703097583729567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030953254559966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030913857038021 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703100158976134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030892227856564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030966759549993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030968577623018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703104534573764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703098174209865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031027352050587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030967325214308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031055645383364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030988661116864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703097294252458 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703094734117141 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030934300818124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703098245989073 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703099115948724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703098123124951 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703099830837802 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703104479308819 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030965239352325 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030973720972975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031047181396397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030994266420918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703105827154272 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031040930913466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031040550661625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703106003120195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031005960545254 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703104932243127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031087943535705 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703103869287924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031093736691805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703105329307747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703102533481664 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031036685741996 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031083743741926 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031080286080902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031068352965362 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703107004201947 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031018149515786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703103296292655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030994918937203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031023297758618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703097111310019 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031080971378754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17030982345377166 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031097095790004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703106372838763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703109340553982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031084228254245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170310385333585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031034016722757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703109533106233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031100915976516 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031087648089926 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031020028011035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031045241706633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031132437535157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031131000037192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031095023954013 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031117728788336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031048372829316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031116213353625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031141277573592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031115366324867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031157935010788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031099127451133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703114200748197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031141354933954 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031112866048603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703111301487643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031125912295653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031100029841317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031092109051638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031126833947485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031162981419834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703117943734147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170311908976985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031134317582808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703115788567955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031152588586485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031143583386532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031124609569748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031143014334982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170311741921372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031187976700335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703117310877884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703114376189545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031178148984916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031172385510462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031161327053546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703118832364131 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031168784627326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703119777054134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031206467487658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031247700848673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703120747360065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703120521304623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170311907255003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031191971033677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703121444616239 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031183712340436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031181573970544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031202389260658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031241638063221 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031178032884742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031170063106926 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031216791820158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031173378508158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703120661191464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703122615803826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031243694268727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703118930642602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031168081930315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031217262242804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031214332819156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703122115951805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031253870595853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031236943383932 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031235668131983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031286913742616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031239217907657 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031231999435947 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031245441435738 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031229867202358 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703124163795856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031211103317212 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031260667973114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031233461514206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031248087969553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031244344703345 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031252361172589 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703125835709054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031260641368717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031291751027877 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031258785353753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703126376050208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031266993039074 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703126242783285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031235349981144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031258234196567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703125560327018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703126363748314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031258965113372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031242381251532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703127137210153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170312382546026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031307502759074 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031300197762267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031269816117922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031290748590455 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031263083850756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703125568382109 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031265539113716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031279371497632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703135956396481 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703133114794535 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031347699333677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031343885443173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703133168816704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031352129461796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031346377032408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703129324970093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031329145798213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031367568706213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031324821852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703130746894579 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031346399335046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031324852244156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031360065176804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031327266898177 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031337855608553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703137205183275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031344260194048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703133651804013 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703138094709945 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031327339389069 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031353390617898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031377461278574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031404063684474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031430672279235 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031356669627273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031344932735726 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031339740006846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031409940944686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031372452667082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031380246897576 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703139543600426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031394952096124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703136013845672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031400663597407 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031403871044493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703140020407946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031403993867367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031438683691147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031391417009556 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031397966469408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031363221668228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031389087718196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703142404131287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703146816110851 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031410896528087 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031384061413157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031394285909107 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031352915619224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031341253280707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031427126184073 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031364728693466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031369649285166 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031416897347462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170313591032756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031428619693523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031412786785438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031472065636577 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031449166251456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703143288609048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031464244299255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031443048134032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031433843493682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031448215058786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031394797056154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703145318147712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031481857383324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703145413520033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031475941289875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703140567028234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031417319747688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031478712421722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031406027308482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703145792663855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031452478374198 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703150529377785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031493493318095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703147490458149 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031407644804464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031474722105588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703144022565497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031525205085352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031512105640167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031459223131562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031484525992835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031440938414988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031530031166275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031469784374875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031480389286713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031479415761885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031468719824328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031523836984386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031432459668128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031513047680713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031496590498874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703151890240776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703147495586962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031510830850483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031464833721854 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703155626040589 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703155201289711 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170315180774537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031487675889123 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031498744723228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170315369534218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170314976624118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031533746706184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031582369895937 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031568334520386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703151180138015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031519026772646 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031544488886596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031521245642756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703152652988963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703155055809561 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031573091006424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031579817558973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703152951497472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031563725450793 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703154202020828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031583551255725 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031572465735612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031574234177327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031552940753147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031608123344066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031557200561043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703157498574841 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031557821300614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031582318503835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031572081897817 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031500729069715 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703156605920635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703156285647648 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031611683126258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031577286279254 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031555994293002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703158305721194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031560646273025 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703158205451376 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031575030159896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703159318825298 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031582192700312 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031616803459004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031629662193537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703162424973943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703156873396342 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703157989217362 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031586888094008 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031619724161584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031609646676016 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031570815928565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031646105736153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703165995682443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703163862406124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031655067020346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031621822856768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031559229605941 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031608029924872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031579790709572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031609350075438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031611005794423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031621682000964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031644640159616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031662540504855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703164031587191 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031630844133827 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703158821504398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031677161661762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703166098223885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031597065225645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031697884297536 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031680821521333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703160347890471 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703167059334061 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031639403705323 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031635781895105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031720075341905 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031641210472015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703165078777703 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031678107745918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031643348737702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031605371510283 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031698942983597 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031713605123833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703171200096808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031704562253136 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031677268831036 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031665475284175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703171106188478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703168229156904 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031675487145037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031699744670925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031707729030887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703164418679587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703172575584313 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031687934161688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031703463344094 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703172699909833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703170050880778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031688316559712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703169713016125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031674114306605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031709962515174 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031685031882937 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031712143823263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031658664938631 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703168990350069 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031705661929775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031678686163598 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031714275719434 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031704155001592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703173047898473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031691152694872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031681769043594 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031742824354923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031756660760944 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703170735953885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703170624476522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031745645991292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031715882687015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031686241210564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031747149052046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031715137219938 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031729951509855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703171848620848 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031756176638657 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031783243176968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031721563158786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031731455424803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031799482358145 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703176779164437 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031761954402336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703176972150926 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703173620195908 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031789526237473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031695767209465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170317295151437 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031747078614345 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031759892365905 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703178589913693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031777759489986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703180429725426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031776870639326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031812525287104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031758713700962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031777768571954 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031811625388138 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703183672316645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703173758664589 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031789431898559 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031770431118798 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031767942804044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031774450428716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031785385201892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703177503013058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031781320584172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031824564533948 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031837882196754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031822742880875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031785567973434 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703182728533026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031832877648934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031821543231807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031821880627274 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031845082105312 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703178567022603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031808318290387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031801523652268 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031825196861072 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031787813086974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031780749044623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703181899136308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031802308405775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031865385639067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031907256077305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031840409734955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031838991034032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703185491432866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031826111031845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031809780484597 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703187669657562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170318703238599 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031774714567227 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031836120396426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031795553511397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703184751848772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031788821310734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031813432049092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031879495239444 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031837447944032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031857817858442 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031805706222847 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031874532696178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031855733542722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031903481470856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703189820570724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703188733317368 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031929691594883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031799016889548 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703187075738425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031833691651566 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031897079753766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031868102095682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031908805765017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031888336975654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031937885346937 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031858900881425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703177470240994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031911744836448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031819730868492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031894226800492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031926249464402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031908584816502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031902024167445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031871131063336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703184797937608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031864024845866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703189498070028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031948737967706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031863870352215 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031894872699704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031924101995966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703194217439965 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703189432540887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031896281588021 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031908608528046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031900876739015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031925510020796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032009642345558 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031926474715264 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703196841207062 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703194368577554 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703193568035788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031965201005939 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031935359134542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031956055684339 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031924086617856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031981859828205 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031980564435678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703193807498059 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703197403328165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031979571039102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703195162995116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031978791203417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031969563595672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031934418404904 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032011572326033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031940880367502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031984044780768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031996642296443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031981712401667 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031980622293552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170320207385792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703199382888715 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703195695913372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703198720051189 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032016283675555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703200167617287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703200967215196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703199729575836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032000637920486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032007876268673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703202070952381 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031995587645243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031960784803324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032030156651556 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032029343755695 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032001921005469 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703205616322735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032019467342474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032078806794937 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032033387842593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032037856159976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031926956643273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032050154522538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031993256612732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703209799275156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703206459146377 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170319442883189 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032042829303073 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032041592525038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17031998366652512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032022599391194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032034279074826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032042952384085 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032083087430183 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703205060098265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703202416656623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032037964990643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032048348762285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032088410354795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032103560189504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032025963336261 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703208428196734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703210576298737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032131382843985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703208885701375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032052150861254 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703202401789382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703208122159766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032072476756122 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032120414139573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032129115021488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703210185445938 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032106738563968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032089284494212 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032097181180816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703213698343815 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032110122323507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170320939284477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032153189241261 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703213057132238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032119287066694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032126366895683 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032131503531667 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032111051138243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032165000130473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703213981212086 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032135739271592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703210753476252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032142711043885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032103354932204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032153037586972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703217979555932 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032207009803524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703213017260089 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032103618683236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032112620087658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032161497181386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032146899828948 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032167979703994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032150721433859 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032179109422618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032204589034672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032188416803484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032151403593032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032179359264343 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032207310301928 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032120716176224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032240009051958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032170627311483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032148495934074 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032125941500742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703212684154104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032131567333364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032228224199175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032198334273452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703218762838251 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032253805004327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032212342223862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703219192588904 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032200620106375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703222372812544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032173979541942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032252999267583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703221383033543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032243811172554 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032240223971995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703227322027805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032247230681496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032235866105017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703221087359129 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032259423880558 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703224919519274 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032303337215826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032244216304837 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032242676610987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032233163418686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032286143594155 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703228969100754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032255901115145 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032231995249048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703224153509143 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703227034444097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032256800302825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703221647986286 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032253943647302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032266247978178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032290024222907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703231101113747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703224439868678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032281081382095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703228655607989 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170322976172664 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032214740613227 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032264920469986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032212679185144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032201502763256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703219110097267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032239730141607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032201985214557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032201277551828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032228043692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032281764598223 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032296860494844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032273467617254 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703231397152125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703231627169336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032337557003852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032334112775216 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703226301835261 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703227742001021 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032311300849734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032301634749947 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032294450923513 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032341628426317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032316912942425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032334554426387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703235523460861 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703229923358338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703224291885339 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703230307779685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032259868972788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032398249371894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703226991283523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032294431392603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703233539608432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032334064914345 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032263461875208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170323726463521 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703231145446522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703227463187058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032286086786097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032268590989164 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032253875806802 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032296876997655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703228933765315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032318417991632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032339763469517 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032355255503806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032324669179333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170323987781977 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032257315137722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032327809211145 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032377008277866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032420568073825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032366125508236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032291288012957 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032380290742288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703232855161525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703236467497532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032385652468696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703231912446559 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032380112389045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032274384354074 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703236756357167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032363210386536 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703232926237983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032301432994446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032388823278755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032352920159421 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703232899024809 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032334418855255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032373409243784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032335381168862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032370031452948 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703234040727224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032335350989358 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032416291640262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032383339855917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703228695358754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032345565422358 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032424060490492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032327741649256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032436780064575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703243736777048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032347799204806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032344986283476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032354478426392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032424104452049 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032400077717935 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032380269200087 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703238919763923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032482790524428 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703241120516764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032432208869008 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032437806542178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032413369961985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703242787980176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032469522255012 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703250116554147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032466369305943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032412880129655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703237972960896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032428950653333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703246171554803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703247349427538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032449986575482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703246705733441 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032492202578675 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032443758513682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032468888295904 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032491527972715 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032458505235093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032512520208176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703244630086871 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032429033037355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703250901455945 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703245020550781 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032469137355455 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032459645805842 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032471060454513 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032492773139596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032392852309353 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032452278724575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032437080424423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703244205731821 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703250672348462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032513765315238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032401549407794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703249054042707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032532546979706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032529632808813 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032482543050764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032422064255381 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703245120812209 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032375863189397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032496389593232 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170324499604374 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703247884393443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703246102094671 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032466666712376 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032470079628748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032501457908966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032477312509486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032459091989893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032550410527347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032506641888612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032520142068652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032474445650803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032476009092767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703251185006217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032486170184424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032475052910734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703249745604708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032545588574066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703251206019183 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032573860694267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032557405150228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032428388914744 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032569892540084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032516843757006 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703251394973644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703251106182141 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703255492780853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032553410793216 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032525806697585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032570725352913 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032560569292365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032551486020286 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032554817726375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032586783964787 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032582136111019 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032597622589385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032601412236692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032558235535056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032590841153417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703257815691629 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032534376298092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032582150514264 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703255841550182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032534218571627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032569585500568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032540942480023 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032539575491035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032609375706453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032622935457686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703260246161028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703259405488966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032508801673352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032600830254585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032639052640464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032583663140255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032570770035016 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032622815183185 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703257082235663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703264716281625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032619650258185 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703264898193505 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703253863748746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170325603206412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032636933905487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032573448201038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703261841220014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032645643071764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703260102853168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703263662452117 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032645981867078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032637035999498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703261561084698 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032665109213496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032650117245351 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032641914442037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703261800528807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032670739970723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032624618098047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032644095760618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032712857717824 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032625409854518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032643931750047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032699750892144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032670228847824 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032607286743895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032767253371506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703268166735592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703272243284435 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703274346608018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703268180442742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032683377332314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032701119973437 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032648410310192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703265646529475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703273994194524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703265494980698 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703273233181225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032634601705787 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032710275620366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032602413803422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032754130016436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703270208911598 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032738397854086 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703260773576326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032609695781264 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032689852772143 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032746967918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032763928194772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032766870563276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703271166031961 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032669651123222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032674610400556 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032659613036916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703267262234831 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170327152575089 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032632556952598 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703264298200381 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703273599240246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032745452363107 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032651444037405 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170327144142976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032688539375695 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032707132128322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032733515624676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032748456301927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703269392587552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703267972100524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703267788385624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032757696038126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032635531206852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032741267169538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032750630319404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032712458807686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032690997845246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032654362549104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032707061946195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032741032807075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032752778482851 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032740715422012 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703272481872382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032741787370465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703279201180512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032711168979842 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032754206786782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032781465729618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703277110343101 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032768794835507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032781122729213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032766891536322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032754370630365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032781855504664 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703277258675141 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032781295524235 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032759851733148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032783276724195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703279938611727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703278103035092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032812948997922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703279774485803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032796951093476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703278991338607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703278101571737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032836174269772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032802798864977 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032853808268666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703279463423717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170328124990464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032833094082767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032734842477526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032827821113916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032834910777606 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032794772763238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032820832646545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032766770975571 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032873988731578 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703286730997694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032884939380488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032802023672244 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032839429100244 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703282964605779 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032856238775262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703285803493132 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032871407673955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032885672494935 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032888695048387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032834549107512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032852064172677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032882140891226 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032885666142872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032884045969565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032935963139761 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032926073064503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703287180972496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032929020935017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703285704643418 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032879336820805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032897540902048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032857261353507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703289162324063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032889318591904 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032867540236862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032944069941924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703287807720647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703294630873251 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032898597195756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032892343727946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032938827270228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703293646419507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703290209441527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703292495765132 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032909516370132 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032926604444443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032892610380346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032946268269722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703293286651344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032897816502035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703292340020094 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032891985886356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032907547798926 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032933703784958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032908143263503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032926576443486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032964210626955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032943613891527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032975915016046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032965716983461 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703297218930241 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032957792107417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032930639102684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032913762239843 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703289870193614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032981098120425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703294756494581 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032924542131944 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032960160393062 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703299796641281 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032980478654447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033001282309435 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703300789020823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703293836212293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703296013887864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033027784137633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032964614913426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703293962753436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033047374393173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033030129644233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032988942676697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032988648529857 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170330018723435 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033013442164624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033000524131336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033011385764396 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703297345693634 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032996771023645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033004954834874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703297489221678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032952777024624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033008417571638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033007520008958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032992805471403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703299718370005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032990384034585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033018240860975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033009061046056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033003336991626 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033007136708966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033041625038026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032985782293897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703296790305927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032992447010054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703298383842925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032956981789182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033025957067105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033056482853814 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033046703937693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703307889264426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033052540587945 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033030783743675 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033004850454192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033033379486884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17032977637437885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033048815138507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033011216867422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703302831896688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033026553625308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033021358106704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033032627832612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033026990448252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033028033671216 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033036193432793 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033087176953443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033029549012912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033048764531267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703308128157751 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033079218606972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033109751610387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033084203673798 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033077655305662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033075626732375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033063458010367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033064606943682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033104223954776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703307291183479 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033146795117016 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033122499308717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033077739952796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033048565341957 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703307712707698 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033076074095888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033089988973082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033115736949067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033118084440158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033123579784082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033106383372731 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033099803664187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033110180755895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703309576544575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033113398451727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033117401841924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033104499523088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033109151233283 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033087071859243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033100659597766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033107200516662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033105230430867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033085337594422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033134126356908 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703314798861837 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170330962697258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033131724999495 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033142368079968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033158436308105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703318785105864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033148602200887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703315285624044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170331391109662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033161122970164 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033138278496562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033110132909723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033145237437153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703322347956513 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033152261047135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033121730285172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703311171121611 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033165856273158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033172701590304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033190541801613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033192652149765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033165243287607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033140745573128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033171694057836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703321665260349 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033189201507304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033160640016654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033159016922095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033198719139075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703322535410028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033175818303625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033204515178246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703320355672714 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033183108797156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170331870686122 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033179554370736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033211450232666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703317126685464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033233891772792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703316358240271 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033158561384032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703319210828289 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703322843688193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703322260439437 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033234204393632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033176928911697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703318606098121 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703321950298361 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703322670128128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033246794850465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033219589992477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033300959724895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703326664233228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033252799914367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703325551256909 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033215820122494 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033204979523864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033227460050315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033234206925085 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033229621949686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033192752928483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033253363676015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033237122212053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033253468105503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703323276817793 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033222308550455 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033306839306595 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033264661986347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033250765060326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033321164644322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703323369213834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703318869748589 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703328017657032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703325125154206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033293627165058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033230445787517 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033248902520848 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703326296650134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033269375059235 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033279146849156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033264799627434 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170332419190942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033302331687206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033253007228133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703328044285184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703326219722755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033266643283562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033273313924058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703326541720075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033232974007717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033256583600676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703326332655024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033301710158988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033229631821079 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703325797240497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033294562349344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033292894643914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033246810840508 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703329969062619 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703332026065929 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033296990684021 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033266032291638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033312497781294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703329115937673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033318252169238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033275404196124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033280157142228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033255991863727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033277970409755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033302575375286 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033305116141895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033349042443402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170333458644506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033326038054653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033284264773718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033323305183412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033383951492864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703332656374571 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033330145214842 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033298130771957 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033357628718926 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033371715274803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033377915927816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033272547334188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703329765809818 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033303164609948 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033336912117214 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703331332649043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703333387305307 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033317052165797 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033352426553638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033294667474452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703329279876642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703330684613692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703330907717474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033346066811084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033327839598378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033294208784178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033392114537382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033309407907193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033342333962365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033394107107325 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033342000805174 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703331226827478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033367954197987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033275655194002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033405205939423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033337839389961 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033370749365517 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033315823745743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033377948380202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703332476928544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703334626960028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033288757085563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033377698518903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033380144882126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033389787937903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033341371642474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703334770767061 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033376623552665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033344741706624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033447516606337 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033457821498987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033430790471715 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703335844267404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033453101900342 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703343695238575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033414007824932 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033445373414136 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033401445556529 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170333505778831 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703343668106394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703347416936909 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170334056101624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703340974556964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033439709888087 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033496739202747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703346255533753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033479764696158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033449012411506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033392143930137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033395473797697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033390202356402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033437127846474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703340226901996 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033510713752642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033447741474417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033434078891163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033484869164273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033464956128153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033548211340277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033479888290382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033419342319844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033462016507706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033423862525343 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033472934537675 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033384741084645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033459930251904 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033418328255256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033426376579242 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033411002588583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703341703200345 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033472303793218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703343409066166 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033410678496497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033446159231724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703344385551263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703337682047874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033463651284708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033425831990334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033425968916727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033445184297857 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033440618746687 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703340315090064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703345060163759 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033439571500109 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033470224408476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033479654977424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033443700385953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033455403603148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703339982314186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033462977310765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033380070862225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033425619528553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033474521325098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703342731493256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033398036765313 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033463796951143 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033453871276372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033492233029923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033447619070896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033467251496526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033435757423954 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033408686810747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033469291292902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033477969493005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033413764495697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033432529542614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033455389005836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033474322747844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033467889677445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033466964268296 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033545365874747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033486662052277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033495297238455 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703350070216728 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033487314241058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033553449693117 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033523038595255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703353535744223 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033513079677576 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033580561798367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703351337465775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703356393190011 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033524590512672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033543550364105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033511657782197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033541202389768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033564850716354 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033519474024816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703354225551884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703354933369816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033569741718912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033560719585217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703358660789377 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033554500448345 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703361067194622 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033557321763038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033559135877174 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033497993606117 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033536687216366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033568553484335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033547138616256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703356066639552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703353708027141 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033560629379219 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703353681809635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033570101572493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033595884176533 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033578054718523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703364241453047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033619304410974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703354556339548 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033547330936993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033520233832844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033554384951755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033561001162056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033491090286212 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703360539854517 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033538091921496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033555300982328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033561942697661 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033573091590604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033618709610954 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033556670392158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033595449632366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033603348389814 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033591043907215 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033593269485126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033544731888617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033582231879263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170336258074252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033590224619444 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033636953051967 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033609541059302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033614310989664 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033611244204538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033584428328663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033591220714683 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033526927174214 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703360770002722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033563003216123 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033644427490358 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033536623128043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033530966120658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033603834969868 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703362221075555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033579618769323 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033603814317821 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033665243777785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033624803549774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703359810030396 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033616183019262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033684254314396 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033674275246502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033575488016817 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033654870883574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033661702509362 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033588009080913 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033632344569039 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033669344306102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033685001958154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033623730156822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033632006743415 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703366053194817 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033641569469138 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703366464602516 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033709401368213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703365552689503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703362289198661 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703362307300701 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033617021902536 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703366047222593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703367318415243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033639591283556 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703366695425369 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033663584645176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033668470617325 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033670850675697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033689975407762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033679392592171 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033689219859327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033622145520722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033658492198744 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033718707235734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033691358933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703370654959676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703369627820116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703370613759584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033736443636072 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033668739705288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703372229698702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033669586854328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033674968383739 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033713144336515 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033767075926987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703370068721759 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033725705691438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033745386250632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033682316994614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033703800138456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033696468016524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033766311053433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703376795984911 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033746392607874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703375199197592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033795658720996 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703373759644985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033747240472552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703373320711964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033819692908936 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033696804399145 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033709928094476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033817857590305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033788091251434 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033732904361387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170337730418609 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703375300906188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033784969847032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033777660066418 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033728045756247 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703382121557797 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033766817304852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033773400305807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033787012371115 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033766795589922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033797987389043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033784454934964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033818336589734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033766179169696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033839653172722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033809758144225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703377856503303 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703381185061058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033775498685555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033765010694524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703382568027666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033798245175735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033737681871874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033838579449423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703383985195449 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033780517710428 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033822938852827 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033806644217564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033861175874632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033850207899448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033794457767415 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033875872184423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033801896936307 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033841882210565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033784204451186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033819694603058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170338381525448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033832429421247 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033819429046138 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033841206235523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033850896689218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033823086958289 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033793175773992 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033810580325015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033825313605033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703382419695657 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703381611251873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033857564996435 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033806457716616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703384402934024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703389800118057 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033853897300977 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033838823645042 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033833982055036 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033789810769562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033869358510256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033845599914355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033852789578252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033875311898383 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033832420670814 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703383070625064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033882846446813 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703379828091396 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033898297839567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703387728160709 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033925748598422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033846084505977 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033854607532806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033891173161997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703385375251778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033825945415682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033880465415474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033910012818676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033898795337887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033860915430243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033882650425047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033906496371365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033941684470555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033922790758194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703389599078966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703387307526152 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033955143472745 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170338906377954 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033947837526586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033944329743678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033987064352518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170339999271659 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033908494316674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033894850405173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170338798302751 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703394042841685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033906809086197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033924367328346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703395617708563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703386635936709 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033888703231537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703394247795389 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033914162344976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033933135751134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033962581790674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033975292905157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033958552066553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703399394211922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703398015754526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033991737891163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033999873264372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033972038667144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703398168517105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033998864921163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033943248360695 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034004079419207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033957753418483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033966308542903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703398705891347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033932706919752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033987016506547 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033984415256054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034028569993787 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703403752116358 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034091244799598 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034044695249262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034038387019723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034023579440027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034030495076236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034079027764415 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17033977925251942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170340403703522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703407771440857 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034018321578237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034056961078936 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034064291530926 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703405540323435 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034063805389899 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034106256418902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034028602512397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170340416118702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703403911537147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034039243311394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034057648561185 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034125735435335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034102929669825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034132668065727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703409841300757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034180051998282 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034076202734694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703403164041677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034051783900583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034064810042426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034061652190513 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703405215217132 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034101663234535 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034031735269195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703407199061605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034054671440213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034021069784677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034027985898126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034088014781157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034078925149176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034049226590586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034108938255776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034125462062222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703408925643417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703410434285486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034111254031525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703411554881522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034125629674557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034147197935967 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703410288977174 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034103974509818 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703405367877433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034084063861832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034038698603438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034067983742263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034070135414536 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034129377870255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703408480957268 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034137274384387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703412452004236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034114083082708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034178260877408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034097480367305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034098171566836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034161557552918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703406561375459 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034138732021875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034104136739903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703414990485551 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034172338578313 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170341629665003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034142517266715 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703418561931963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034174526447354 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034124856012134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034144427371756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703417823757979 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703413946785316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034170054154796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703419331434366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034202148090605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034190657554305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034168434961616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034196855909078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034230154903096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034107308988533 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034184581436718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034198368491804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703419858841999 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034138113023423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034203930609237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703424837762183 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034159707283947 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703421438242675 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034217423803466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034173898243976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034182372674733 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034184135806485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034198379836285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034212129744553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034238730047213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170342549835241 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034204679916187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034234589937958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034207867329465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034255286599354 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034218708602156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034200736971095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703418766037451 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034169752635675 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703418538766831 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703419282621863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034184733769686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034233388597386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034216320586104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034221051447507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034236763478416 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034268089978555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034235582272195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034250830064535 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034263107647207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703424745722003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034245778745616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034276796961345 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703425612674282 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034316679698702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034269889933684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034275633329232 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034243380529335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034273370976483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034333596475693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034332721074397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034253912520414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034363251397378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034305133942584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034347681521733 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034257374420536 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703427712354526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034349436923613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703430719932768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034250169239784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034338106583746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034291914840893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034339490985873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170343185131982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034304976569714 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703432061464294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034354146660347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034306385233156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034319211842175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034288310127543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034328072422622 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034333493294407 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034370236452312 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703431767278979 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034340326661357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034305954562712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034284919288234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034327717266007 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703432640907161 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034332142450404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034325675223538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034312136930008 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034374729519552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703433536502874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703436811879625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034333114863276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034363374103723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034344478545316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034390420309076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034359396511423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034414512630702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703438170157081 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034394497307326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703440265864401 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034375684171632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703438301331942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034409799993677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703437072498606 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034410917038834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034357207408302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703436969375871 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034374375292627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703432776962226 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034352932994112 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034346784253007 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034387212214608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703434508257431 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034379266935007 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034326353298757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703436656168139 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034344918947586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170343977906373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034427145683184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703439902295818 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703440206740544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034361350039184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034437675325464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034383293166766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034315167316438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703437112499333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703439274080043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034395343383357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034387248221283 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703436731914577 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034439205344754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703435402668415 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034452142494005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034381907338414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034399085351137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703439062119364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034449947779529 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703444396962327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034456285479616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034460902586046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034435178061502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034472879351747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703441097047257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034347986657117 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703445305610387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703440712125862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034408918654298 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034454767518137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703442326587521 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034444855150055 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034450230718756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034468701506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703443999727986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034438171050426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034454955743394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703446342104482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034499378773504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034404280892113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034430584361393 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034424205098508 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034407436949905 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034469478082193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703444493868288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703443744207609 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034508211949262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034430643808274 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034526192597932 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703449420043719 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034498728194436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034489654131701 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703448486620659 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034468735149333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034495921541026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034460679997943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703446733311399 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034514781896637 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034492096679943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034514026250458 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034548825075446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034464482839395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034491703906263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703450161792014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034537068060773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703454093776564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703450989922265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034532694391102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034535226676606 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703454192742706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034494724397475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034516501125951 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034532401075608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034560464883763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034542970882183 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034553128997842 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034544550212172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034579688579365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703456216526994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703453024429732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703453020488046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034571192389814 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034574806601732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034559094937518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034554209320096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703456620818874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034585902550992 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034528588359044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703456504849935 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034546305452325 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034493099329118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703455283134777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034539115611225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034572790157942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034594295324312 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034560148306732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034552643652034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034547217062823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703457632923968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034582982201119 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034541499470335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034589344606732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034576232108423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034541095373912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034574789334755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034623263376392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703457473898108 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703457260102259 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034585379988743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034602018992895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034612479846067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034546953531804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034537700139218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034583910341217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034592339265975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703465455276585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034597296520315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034552051855179 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034605453504026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034559065490795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034623002127203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034606533289842 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034611363171637 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703459431316473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703455219136032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034659629080584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034642378177534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703462121170538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034623442008956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703464313492965 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034629507366184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034567954175395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034560684315136 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034600695142788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034636978360507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034564561662557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034715043371473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034612914087044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034697178340164 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034652933509953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034680177483186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703460378682511 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034626015295118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703457875999832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034577237907722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034522606133629 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703463997455319 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170346808418264 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034635101337015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034706794239518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703473336723157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034660746535946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034682707127713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034689723093344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034710288438948 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034654269511185 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034676188817843 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034656045517627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034646865058456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703464024863598 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034649712395733 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034690307499023 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703468929656271 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034632216907242 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034674995193344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170346767472201 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034615808665132 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034682261681355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703470337978239 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034652226199065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034654271164296 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034679423913723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703464775935839 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034677359681694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034642627264984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034724952968616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703463799049557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034620111610177 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034734520415928 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034713936892554 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034755926870926 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703467641995554 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703466774223218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034709527995362 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034716256712323 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034736314508825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034752831013078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034716480084078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034675210920558 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034707688635387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034691547582903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703467106984553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034696017283046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703471861846192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034759870024208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703468639155743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034716972389263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034722406496527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703468117797533 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034743240640227 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034764935091973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034754855897294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034768133030398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703471729968723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703468243668682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034699887274696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703471130971289 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034648722467116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034737564978752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034713758434372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703472902651716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170347764927831 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034681388152595 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034798438766974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034672603582224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034751801005554 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034746012477808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034752874449322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034761647861318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034726765745412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034738790126203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034763015802024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703475821838185 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034770676511068 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034786132014124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703472895007968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703477282240401 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034731215578547 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703475992362563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034771264375115 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034718548407612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034737734875616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034802751080147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034707148520978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034761040409485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034752618032423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034776822183784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034815699412198 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034776289790754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034809383137262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034832804841082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034803406996668 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034833637389324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034789785616988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034802146362815 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034781435574597 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034738460562737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034792602578064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703483081578041 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703483489238785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703477825845352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034794298798028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034844952573647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034807011287956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034783170560674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703477345070813 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034828521804013 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034775646927558 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034805755267124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703479354269588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034851448179367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703484981267328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034942056441604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034889194516112 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034826011899917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034809607525692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703488108355946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703483064667829 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034873131213557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034843359926888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034822177524822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034885631900454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703484788490086 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034821933911792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034837682227244 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034891325254287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034803387854158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703480272613236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034864945992978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034891262077478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034936409191004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703476929830805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034931195856096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034958539929257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034897217082934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034908845753471 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034913155315445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034933818113385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703491492488196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703491415829136 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034869819597975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034915428554886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034868900827405 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034857280897486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034918668813415 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034974059694508 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703492099745989 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034871772067273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034984210046067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703495788781626 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034918233861374 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034877762929324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034946579143906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034959701618746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034969370847974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035010227790837 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034942580475865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034938042368175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703498144684754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703498429907364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034983771665968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034975738679603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034954612661968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034999332344647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034964479831927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034982864343984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034982808340382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703497348512033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034880160055177 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034967531393552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703493239820334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034970039927289 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703500037445207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703492801982378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034968604493217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034953905333172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034928773210534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703496582260663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034965972912142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034949132317623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034999915171778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034929291619627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170349729281429 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703490263059707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703498383003017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035062565680292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034981950802663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703502564624373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034999461423583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035054725522447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035034019450845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035027486622656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035051550833735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703504438147988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035073484439178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170350306025845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034980270758893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703502840029636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035057226204242 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035031221381536 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035010407747186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703505189406389 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034967901435127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035102685119408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703502909336435 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035061665691575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035033814288603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035049459558138 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035040788653422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035033469834848 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035011315329918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035060227740084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035070718626144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035067099186996 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035084971319137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035037007802833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035052339232792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17034999252285654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035051680058344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035058965137884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035012097295632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703505436046442 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035019610919366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035121120334673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035125559058129 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035036971559725 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035086613246564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035090575942158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035089853926133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035078749841448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035090208768433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035057113680463 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035058709203976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703511295086183 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035131293232852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035035888753713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703510458320293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035178242670446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035102485243825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035117812698952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703509441742055 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035104437310156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035092119353978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035115247386323 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035108927034448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035084831860836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035115294277825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035111348466758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703514190661024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703507238709605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035075591346716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170351403387762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035088764399098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035134113162242 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703512308143672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035080178976048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035142800327674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035097916992037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035078094492928 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035093049598704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035162935936998 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035115102890241 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170351311370872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035159406295686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035104049564187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703514578836014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035146174892446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035130229591788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035135240215438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035194242907392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703510481561602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035118542825078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035114350711678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035163793939334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035091725150964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035150110033603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703515339935271 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035171672350424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035219532053414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035180369369962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035122783888101 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035161775560137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035190073415862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035215711228102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170352638605895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703518672989912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703523382201041 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035261735933604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035196216029758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035228275328784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703525246985309 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035195157478833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035212070911243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703522153800161 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035184442335127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035175190453344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703519575915755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703521951567173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035214052776038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035216798816755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035211294953367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035231800323725 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035264124652194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035242533993622 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035219490217746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035282073806846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703525203294739 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035302825346132 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703527464066773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035286986071763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035256579457037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035276963637014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703526344480084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703528581430943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035267076223026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035210040240112 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035309269382126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035227761894156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035307292556945 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035275375826497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035247493469974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035263541931767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703528406496463 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703526681372427 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035317026302987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035262705630194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703524857638088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703529750216265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035255166770158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035312857861507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703527159767334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035288800682102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035283654347988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035294741711604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703523908345569 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035261288601167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035258982424528 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035278231850481 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035235751727928 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703530908815699 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703526757875078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035271531976204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035317020278118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035291499358562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035296665714172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035309744920024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035336695564307 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035316269100942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035359361583124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035327979964665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035259765619326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035379735398493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035303659096457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035334369775768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703531933863892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035317883134415 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035337377681192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035250312843686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035346287058073 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035222537266526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035290660966784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703530080421315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035333627478777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035289267067155 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703532264076697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703532841880866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035250732578378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035272527904954 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703533154797513 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035282192342005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035313573658573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035321752149235 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703530711127973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035289841190038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035353625957717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035333719910029 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703529978160654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035291213100945 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703530166499735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035303557528925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035314001247914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035348014911433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703529329736304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035221923015165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703532467117349 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035277144309424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035368131222017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035387393625356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703532938709248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703532814665133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035364127522445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035324447819866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035346129518614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703535490661373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703536358128559 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035343343886278 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035323168577388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035334315713035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035382868381388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035385678598258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035374494186672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035424286208722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035369150446888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035435053137116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703534815429374 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035441675304552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703537066482661 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035334337465124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035385352128762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035402645438502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035368948269547 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035395759698202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035423417081852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170354654351913 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035396179916384 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035373170437795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035384740245318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035304480701985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035386419642096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703536598115195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703539157952484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703539343628434 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035421375100224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035363264234749 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035469607950326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035383596001952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035450998373736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035398985354744 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035423956092632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035406861544267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035361143390182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035480917931944 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035373465983272 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035428576986222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035403877093225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035310474534415 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035449088717558 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035404861716708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035432539747952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703541105546751 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703540626954121 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703544284814862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170354876005267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035432523885363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703543405218355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035465224710933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035455487726636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035481682072673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035389220059216 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035484169858062 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703551147154404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035519306085356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035456421812034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035438999928 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170354510377991 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035501564441158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035458162670802 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035555655863122 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703550632481584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035458987685292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035398688465797 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035529401579275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035472931302476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703548901584575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703549290951214 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703546931593627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035436173323593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703544767581331 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035515849792526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035497701969193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703551882437644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035498011261374 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035457178178082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035536088279146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035546430119308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703552324778348 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035477166010204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035506890887053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035496673883743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703555759385018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035498159682327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035604493969658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035571529692417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703560117104438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035494776590498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035526589468108 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035635320880915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035565285288234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035521998031022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035583356652495 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703554794807547 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035597931343915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035513003768332 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035580937163064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035573394628667 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035537381181998 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035628950108017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035485339627854 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035582679107442 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035600103923743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035587046732392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035565760521576 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035598897587412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035594480123928 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703560785342494 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170356037609264 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035580274704443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035573048801322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703562117646611 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035626742460408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035624933055937 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035586955972026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035621470671525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035633086684598 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703558851591257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703562422087469 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035604084568423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035611932541395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035645485157014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035636046370706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703569070987896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170356178821492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035566828910365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703558296343024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035587303870459 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703560875878979 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035651952290076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035576613756043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035663620036778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035609312392186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035589468686618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035685897738484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035711121954722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703564646412069 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035664033813747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703567288180433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035654331384542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703566455011708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703568674521001 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035738273371903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035641323760609 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703570555630478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035633617881218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035678221009665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703567542654859 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035662878875835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035682179018186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035707746466378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035672384692446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035646327481024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035664998579003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035761795090876 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703566114746886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703568479025136 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703570825131826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035716069207996 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703568947822668 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035686692139695 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170356179149164 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035644021327812 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703573276378072 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703572242482858 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035677028789775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035696103585363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035681863665997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035651664172458 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035744139429332 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035668219638922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035674191149164 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035649636851158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035727332805184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035702286473342 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035665711919956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035634857771742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035721105446888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703572236894242 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035696791820631 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035644492951107 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035679459821795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035724804512797 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035639854338802 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035729422071288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035633815764828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703569612957324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703567467620295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703571090825572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035679851780616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170357016505008 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035690026946448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035688095730184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035751694995382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035710756612277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035661259887347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035735562313614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035756922310485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703576318316684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703569849607638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703573959095831 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035751091961981 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703573561953342 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035713875347636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703577241826305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035716504383047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703580131691489 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035811101263187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035751067089266 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035705037087245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035729606328842 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035750205433553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035764411083942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035721700230733 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703582737290963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035786728844027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035760124476484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035755604372937 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703573688347454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703579479532531 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035782490119 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703583906352384 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703577264803131 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035769565771763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035726338410395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035764918483542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035830037437316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035809492124632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703581443864608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035800977605697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035824071481565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035805259446235 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703576742571018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035853166812354 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035766244536554 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035780783523147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703582098002806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035806105943507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035871069408648 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035841794846984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035834450526277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035799442061705 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035807704124495 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035820620750608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035885168217257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035783071850308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035763822751426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035870857450153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035841822926256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035803250887416 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035790791116978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035775848771106 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035801796187333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035843197334766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035763455831088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035807241103895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703577432441451 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035808043867928 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035803657244009 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035801409899087 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035868874257298 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035848571614498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035901034167644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035857336987947 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035831953720593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035838498150546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035889539187288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703582115492539 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035786689975063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035873420200764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035802586014004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035889313993557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703580975323864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035923891196858 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035876750427548 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035850179164447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035862302078386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703584076785366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035866875664785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035865480040202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035922591590114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035937579090787 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035874781807492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035869658747316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035848926083963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035894999612633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703580445981896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035822797953692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703585349734862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703589105737463 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035863887834357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170358994435568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035856584146525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703592846963239 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035884871219775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035949522285088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035967411914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035898741769218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035823073192635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703593433376447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703592472565324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035907363326053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035905284643615 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703594819378098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703590957219001 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035930327043036 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035966457900875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035927777578563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035954914354245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035977597912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035962134512517 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035989678183128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035917342377227 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035902052361707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035960669326966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035930016717105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703602621763839 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703601089023704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035966913081768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703596149095432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703595314000277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703599111265396 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703600495244606 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035971947799544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703601100288451 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035976850691903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035974453747782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703602427678086 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035965842984202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703594420255835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035932588971037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703596707337217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035957765397924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036050179711026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036006997690267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035967658791895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035987696552657 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036041302675398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036049304422318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036022183335775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036004209257793 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035972642412078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036024729547528 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035996859897484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170360413313686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035998730838176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035979800376932 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703597707101664 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035962841405428 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036071276161924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036043420961455 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703601104068445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703601816498378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703602766388398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703607261071316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036023059477012 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036015051376963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035994709193225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036025357320583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036045641632847 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703599786228429 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036011571545073 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703608002249909 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036042699589238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703603018674884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703599661817834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17035982217345902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036022898599246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036026285286043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036054889170005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036033032223663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036115607890778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036036552083822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036048332042908 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036019272294178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703599438563831 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036099585078146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703604494292894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036021379536814 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036090695199446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036035155218343 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703608181506302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036133834290879 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036081200715292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036113850701284 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703600211351618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036065748121165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703610128632218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036052593998474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036096865454753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036140956003554 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036110924642833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170360398453973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036103223517096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036103990550255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170360977320133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036168629262693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036096679191315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036141632903912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703610242244632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036110365310386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036120903245555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703608290356764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036110178194452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703610654457346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036059867550724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703613835108554 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703609045594351 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036137922284822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036100198576298 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036137988176336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703614667575426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036100793167508 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703615085041973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036140872349914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036162565155566 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703614031436972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703614976873178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703615521430022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036113006556675 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036147933160373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036123792306102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703617064475671 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036134268717684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703608368638545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036121629045542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036107525145527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036176631081434 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036159102867077 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036200193379492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703612707544644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703617664988082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703619752736386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036158957735426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703619396856335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036185092223344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703622365807328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036135664564633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036174680011362 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703617973111422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703618361664475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036124484730564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036190460346567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036141841389962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036239541228282 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703622617121664 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703617907406959 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703621632777914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036204318236492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036199658769358 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703626223678263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703619077328914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036185839133866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036165235915934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703619968897111 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036221274498164 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036190139194352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036256487978096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036166912653883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036176269725223 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036218358241584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036222172426208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036234917015658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036161302546549 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703625176431287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036284963586001 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703624739582057 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036192313309162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036244418021718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703624405570967 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703631538661916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703623121742014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036209566316984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036187664021119 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703624473383627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036226911794838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036153413154154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036121523055892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703622914290236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036204167952174 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703624078055913 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036223064715716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036229856768204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036227701412976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703622529948654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036183267339677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036194177006758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036245886666834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036219722597734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703622457382452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036168618944203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703618445753491 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036236934554483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036197775752493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036212732038214 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036195702546453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703622021571124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036176673620118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036273693525938 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036241858463552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170362476948822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036252490971449 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036232027293463 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036252961518894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036240869615427 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036292007432163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703624301152764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036251110826794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036283781329886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703623958266146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036278330134058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703625668829114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703621502299939 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703620069465559 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036261615334813 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036236456262654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036259648629237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036267506737912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036299785401943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036269372076673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036282068742503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036264442129256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036211143886515 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036267255385507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036233125379308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036247743467225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170363371180433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703633451518236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036243231650805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703637068568048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036332008912425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036257619316453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036288745739714 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703624010173468 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036283847923983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036317363324494 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703628969340648 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036293102268596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703628882864222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036295542706192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036333237730672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036312067814352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036365451310875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036290177554292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036335627059218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036320077870293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036291935017545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036265360948144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036365533958853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036273888023024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036315663247192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036409970642197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036312589577085 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036347564319443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036323715761215 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036358595297685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036353854777098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036299274527544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703631573642388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703636024926617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170363788594045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036294689467701 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036349052734512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703637374011081 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703635658794902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170363115375868 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036340838845165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036357822194503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036369301740162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036350509334208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036365936440567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036328468567596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703634178654555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036339615807183 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036377894058774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703639025698961 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703632533209144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036317717521376 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036378771007865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703638787896148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036371561043018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036450013824267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036388560833726 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036322577676388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703638766958986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036417125551817 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036387481710724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703633214173731 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703638723361034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036345665358332 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036361105563202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036449748693294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036431588684653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036383988663972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036397955374416 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036406776628887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036419683084347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703636908123396 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036350983002901 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703640041114982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036430907934774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036433215184132 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036406743551702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703640976442774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036404018548534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036446030046726 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036358595796364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036475316343636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036485979880134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703635770017734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036399395110746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703643877140324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036489192742044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703640576199652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036375936685166 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036425810592615 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703648207827373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036453353250414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036444102341064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036440129961272 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036406925781777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036462020858611 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036421371100063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036429559474042 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036469468624937 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036402905861514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036518407918333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703649274254707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036476851438054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703646682139146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036504038409173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036489567334323 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036472383533074 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036507077134178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036438781798136 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703646860258763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036478070577332 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036484745954716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036487428223468 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036511098832974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703651631890737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036485475586172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036544857195512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703646502557431 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036540570640457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703650891911349 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036509171096248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036469388018094 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036531289378265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036521322933895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036506581911004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703652111251519 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703653629784554 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703649237080861 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036520948603917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036517529130935 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036542138048627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036485375838806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036549847231064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036524051619972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703651676174306 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703652524095357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036529724563765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036510774559 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036504129395968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036521910929525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036526359543247 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703649380951564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703650030198497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036524139545695 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703654303710591 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036557028302834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036542355243434 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036530878793488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703656126495694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703657287228333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036530654261461 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036577318677404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703650621660675 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036544591692537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036579698187093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036581361086856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036544023407552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036568354804982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170365438015322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036628208079052 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036626034011526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036544152124067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036620044241557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703653670972941 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036568082113657 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703657884937274 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036604207533812 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036577618396365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036584697469515 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036577211951387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036534294230832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170365833635449 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703656459198537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036555253501984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703659781385447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036581555545538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036600736184682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036553020463052 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703653357374907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036573706121294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036626139012456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703660447411608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036543631159595 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703655489517938 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036587806725412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036591426848668 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036564849909308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036614482435453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036583246377957 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036593393396526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036613294572456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036601937842766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036620544060233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036663350878611 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036663109783257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036548013075958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703658209112704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036631164177174 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036610476124858 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703663219031275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036611215010244 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036647904539393 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036620740938824 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703657543663446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703663073954388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036535031348343 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036604706146652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703666708660374 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036615933022037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036602815035873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036659893463169 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703665765643726 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036640865063601 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036622306732985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036632579075284 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036630083003024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703669397910278 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703667425896661 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703664857551913 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036636008427808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036647641668423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036640733737252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036678082270562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703665005198961 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703664206375567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036657178208703 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036679078051642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036644170144544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703664760614776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036648484219585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036631968144222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036685863216883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036663322936285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036678221724133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036577099773664 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036668279825018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036703754400417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703668569895065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036727250088113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036679805976374 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036658614408018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036706437914595 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170366708304167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036727852239741 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703672889404817 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703664491808391 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036713132231718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036653468342133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036704333643626 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036697648239485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036691744333832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036710181938686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036708543705303 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703674334073998 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703672555745933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703670143722218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036738848257904 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036718455269773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703671570002815 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703668869945446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703665004092666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036713934638914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036715424355076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703675927620304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703670466655336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036760882210056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036742677403272 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036720662648375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036737946303737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036765825546552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036766489669564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036708015443913 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036727628468584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036711579607333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036697902653564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703675131300202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703675483765853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036762807569683 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170367730935038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036761584246674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036751381253712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036805593033855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036661380582507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036703339899917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036727624741255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036783615031492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170367862348636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036771716210053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036753720760034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170367718202314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703675459036611 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036830696720917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036822402276441 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036775999943343 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036761835054692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036803652347454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036699993036075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036735575562667 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703679570935973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036784177108477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036809124664798 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036786737773857 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036783477264283 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036773739701905 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036803974104464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036802779734417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036781762024256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036787774852047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036829020561362 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036801250867428 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036795222149048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036785024559287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036801613299868 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036831571788313 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036813428525865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036795649968672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036814225652275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036831886527082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036840602418224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036880354956174 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036846402609362 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036834435187231 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036863034891592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036841606144593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036878989305915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036877665189498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703688781111723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703683885224896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036820538615427 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036854018649128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036872195205877 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036842295632526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036872389560342 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703683890718226 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036809668682706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036869071360783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036875064819024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036919910879333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036902453257852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036921360624613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036867556123303 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036860200385784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703681625877138 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036900615099937 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036938857745654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036879344766942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036871974136258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036889426231383 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036914074942722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703688046155648 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703685334950319 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703684722836396 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036865924677258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036853196842017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036968810324626 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036877955448748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036909203832273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036916312335493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036902067423443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036912157752593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036918385723865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036886843062193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036870649259883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703691735490559 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036834501268638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036905862247897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036968980635325 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036913548236243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703691614615248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036876631200504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703691648178255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703694358265887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036939371879378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703689006043485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703688232350259 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036905441985872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036881990967034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036922190747494 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036963649594805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036952946434414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037011081040254 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036919090399238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036970113618122 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036921439704922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036942831157964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036976501951806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703693286240412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036978903182354 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036971208401774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036926421316168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037002602051665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703693710106834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036977988456514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703693348850368 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703686645652458 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036971053652883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037016668308258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036970533990214 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036965867250686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703690458721171 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036938380574107 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703700780948818 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037018381416047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703698320956305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036945325849728 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036963998126575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036960707517723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170369577510168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703703254059301 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036960410278423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036946389409768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036990779647765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703695911676042 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036987378414714 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036978041329986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037004432302005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703701859933311 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036995557381662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036959364743154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703699716093069 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036973921745824 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037031170969397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036960498213938 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703694489360631 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036973384631304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036980403303503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037017198783977 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703694034335319 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703696582524169 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703696661082077 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036994140793849 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703707948009855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703698083376416 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036964156638534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703702943013793 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037061246073504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170369396823708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037002795959644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037024055381988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037060037597196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036948362531745 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037024554341906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037012652948536 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170370202732409 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036966736731862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037021478067338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037037083328588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703697289509889 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703698151114874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703702911335484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037055286841463 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036975593098325 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037085047225542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703699286540763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037005335517308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037034413310292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037086841578064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17036988080244286 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037024202366446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037067042472298 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037086318521832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037070873266136 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037068585741988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037026391596666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037049254030245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037081017797095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037035236129194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037027010459327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703704733910385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037040356312083 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037115027030958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037046408047107 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703704799072875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037044142290858 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037064624923837 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037037042238057 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037089641267356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170370613407564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037103052872626 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037099172328496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037068155321455 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037079331396443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703711903498284 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037133885484002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037093868100295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037127030482757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037126871610186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037112574053015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037135649439883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037128013955205 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037107995842837 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037106545524416 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037069018580764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703709936310277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037206209536782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703711390717707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037154835153656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703714292482903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037151554984797 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037090571567626 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703710020337288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037162665687 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037176442021296 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037153540941763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037105494648086 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037093830762595 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703718224796369 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170371610807874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703714334469919 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037179235912403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037163956209112 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037190775082056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037141437035552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037131602828737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037210771613698 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037129523472405 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037116482611803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703718888800715 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037153479065714 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037165423202316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703709150029804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037124923536506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037162254034266 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703714086131688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037201799419222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037161414851576 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037150376044463 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037188931970548 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037148654509482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037141863395922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037125384537277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037214767439324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703717634559737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037236718526472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703718550760258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037199704936823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037177676566917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037208913206725 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703720248887226 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037199561044725 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703719342332668 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037151314586874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703714637500564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037191082710856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037179253084433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703719661294718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170371665851067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703721984610257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037151291564545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703726643783241 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037238447257053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703724041491571 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703726070481031 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037196974296132 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037211695726406 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037204362974478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037189023451238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037255720104993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037190432756033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037232328088237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037239780340097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037219497648837 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037239492764633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037174481620276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703718857083818 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037195401648997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703718398959173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037224252433558 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037233943310293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037181248653754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703721353828127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703722922468801 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037264883316716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037273015975107 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037230628228628 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037258226089802 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037244101517746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703725626266822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037314398470493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703728565216378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703728931759767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037304697630784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703727190107991 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037281103429103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037250962800166 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037240705726509 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170372861099652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037290010025863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037301937957672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037286342767255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703727288685951 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037248857371212 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703727564034152 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037313762254958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703732254285073 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037289087356766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037344150560285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037341502246317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037412797021945 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037341189785626 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037283033329043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703731400895785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037282114756924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703735814028532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037367907338052 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037321691070617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037373949683476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037269562284663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037361569926623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037339352507042 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037321723416754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703739432826583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037376650835723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703734525822378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037309374454634 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037392507878824 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037392319437306 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703738797745501 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037357773686412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703739163226785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037386106602992 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037386738640914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037385292870977 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037350598510193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703738837197235 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037377223627614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037382574839777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037383405576767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037416724452337 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037442574176054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037450319548042 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703740274469343 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037442003210856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037391534459978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703737081971255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037443977490796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037411930296953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037406191913385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037456189964506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037420140043213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703739274368028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037402703189308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037362652083965 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037443704164135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703741351478396 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703742837383222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037402780511612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037415420458935 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037419824399236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037455873864282 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703743459263246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037457004728496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037438561150442 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037440564589823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037447263068783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037388695241262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703747961123515 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703742018434682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037423724436085 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037479855808457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037460437364704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703750798443331 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037441882734494 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037497806847757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037448718191694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170375067141862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037484861781038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037523121616416 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037447852775944 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703743963616401 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037460644936964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037492470711568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037489094059977 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703746358368765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037451242278645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703750233345498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037462434794381 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037516037952904 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703748750869194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703747608682109 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703747905104639 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037487559240316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037437014185952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170375118313295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037470422439438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037460097696344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037513662811932 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703752647821828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037475311586658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037506669608227 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037473721447538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703747969224938 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037477714043836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170375253121127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037502351805456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037532503797892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703752153973197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037536613142912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037565466379012 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703746491877729 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037553206219402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703744443369285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037474228133032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037521925752275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037537759879495 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037528357002618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037521448169157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170375406793702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037524428814244 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037512022412482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037489306820197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037588267981507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037522283673345 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170375279866521 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037495803829417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037561792033362 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037537582823858 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037538291284893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037531995441046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703755105656135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703748442384102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703755526020544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037548323731821 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037600701522426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703756914647696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037537111636059 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703754217214707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037538908278593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037529180382116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037544023026407 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703750210743139 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703757570886909 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037587638646334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037553991777377 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037495715175066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703757209978859 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037550659511413 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037615482986523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037550662212742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037609972468648 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037622384850826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037541503781772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037550587335293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037537968126726 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037533261727522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037543066095118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703756903921243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037610898695155 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037518456504186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037605940166278 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037596291722557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037537102714662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037610956950966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703758774178813 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037591570402622 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037589640248185 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703764027563227 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037630151860084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037580763837723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037568833198236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037611057683633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703752023600894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037612127435242 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037579515432344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037665817979852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037600369897177 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037550252346656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703760359862303 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037679481217793 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037688676418405 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703760244714808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037670741334643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037677333059864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037612777289857 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703760662025663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037683591188457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703767700821922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703769061397703 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037654154925508 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703767979215154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037663156701366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703767212355971 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037628902622692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703763017273029 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037734839916563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037645440207583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037645507677934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703767940407135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037661565854723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703770414605542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703764091362966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037679354185487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703772839594374 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037668960378805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037663350933108 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037694714239304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037665997180318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703764050204114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037710608889933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703771447105542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037713345629013 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037710133470174 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703763871613918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037755726044967 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037717707961997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037730360405412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037730244613525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037735668216747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037759680640885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037747845873152 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037743267129368 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037679887942603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703773984958754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037714841881635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037703315226427 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037726622043092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037716916850665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037710868195322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037735000284793 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703774147130911 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037712896315038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037778536964876 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037683919932634 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703779719156565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037801639497252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037788998753056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703778377408427 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037772271628526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037720331232942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037738485085163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037757596143943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037771757072528 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703779790353228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037789877410403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037789656861901 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037803621887904 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703776460897506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037829190430864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037793171058835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037726140155407 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037766866306003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037785336194167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037751139218027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703778512244256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703777006128182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037836306188026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037756782840685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037770513518335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037773697485492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703777844119061 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037764297122981 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703782938420596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037811599455277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037788450094338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037777159577616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037785559846563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037831295200023 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037777688687283 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037811407399506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037794207912815 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037806089830065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703780044774479 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037798635323986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037863726120794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037764826150836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037796409140804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037847212818225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703782713264138 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037812919056405 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703781679602281 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037793702356796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703781383988403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703783739945861 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037866415557423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037862373959212 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037872025752232 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703789329453863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037854398988794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703779656388179 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037875677137915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703783945633639 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037816012963058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703789957022569 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703787501440781 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037864268829817 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037912296036828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037878006430862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037852904229567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037896534895125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037894989041913 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037915840212958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703786640740178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037846092609554 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037827142768103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037879808767864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037929667425955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703787463641544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037922615442846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703792969358573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037873052716856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037917815545645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037852604820625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037935246059288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037903717163694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037908016988323 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037889459857936 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037858909496006 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037886773345712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037934434543467 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037859076693518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037937765774513 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037903847218416 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037849354305834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037892610712047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037898988052835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037902695655416 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037957022518757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037887056779266 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703789840170974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703787757190991 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037915104730117 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037953506555792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037838660216886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703791715912425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037924683068373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037956633184526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037896326047586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037907887377002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037919349089814 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037856037148635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703790493229257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037900280227503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703792762149986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037972950534075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037897558111537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037944448139308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703792487742879 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037867427648656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703791935820922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037984137832551 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037935752175948 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703790841417051 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037960764632543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037990250471358 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038033531999586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703800750802712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037981303226213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703793632662699 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037893173436536 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037981514163314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170379924848301 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037996016859902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038018044187453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037940839556343 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038023285024984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038019818958994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037981609998365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703799455704964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038047423028768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038018793804277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703800559214964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037981890682496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703800961517663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038032324846697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703802204696082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038018505338914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037971530035412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038020301626755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038023120300805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037979474705367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038034509322408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703799016820342 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703796925487704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703802950362564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038023568096716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038002556559495 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703799489964779 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038023838250482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038023209648512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038039967779828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038037298055986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038069047766213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038021106441392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703798721394154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703800337684267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038041628917278 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703803613468542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038113885908845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038044339758118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038059051206444 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037987842381486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703806737160658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703807077096533 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703800478775328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038004392419315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703800234441596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170380102503636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038033353518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038067060575446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038128465194313 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703807052944859 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038117270153597 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038132454095078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038056431910198 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038055578809264 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038103167480756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038130207778335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038111106930542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038060128152765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038133792605248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038124734595894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038125746640398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703807426547712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170381154958835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038118596118235 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038142306413862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703808315609856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17037981003823477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703809862424035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703809943034067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038127051459084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038096616195542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703803487863902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703810138749714 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038072573511087 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038102028920732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038020476932614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703808006238573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038081111594872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703804634103837 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038075545166664 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703818704349621 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038145007523542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038097263179952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038074856626417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703809276545709 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703810331740998 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703805745020569 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170381247182806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038173109088428 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038151089469988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038082680119204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038114209877975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703814545670821 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038103687693984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038127165605033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038092476663425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038115179538116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038112135333527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038109377504718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703816933720529 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038103671816274 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038179588476998 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703816280812689 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038111551902846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038119694144382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703815601087436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038175524371124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703816867301391 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038174727310185 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038137069602133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038115073423565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703815925592892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038148860118685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038183475216762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038112462723698 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038165466129096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703818243243529 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038147686992688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703813941960597 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038101081897317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038172577846988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703823910810014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038151485134967 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703813748299493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038148767996397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038196968800334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038156754575362 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038176475200095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038196794334715 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038181195747615 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038259743255335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038156685375427 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038192766878513 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038147246726765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038213769784238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038216397264327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038245760597548 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703815280349823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038239997781524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703823250753962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703818521626943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038195020361635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703815322417631 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703818537623959 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038206873284822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038215464949835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703824350719495 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703825498332433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703828780051867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038302684358375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038254286199583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038261294014168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703823117747567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703825730506393 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038191718644713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038202950141468 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038249393495375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038173477913443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170382161398136 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038304015832895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038261166280033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038199509928265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038296642031125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038201588636348 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038251688399186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038266564329574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038196644271153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703820082241243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038226955861102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038253115012192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038222702925232 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703820971141874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038276344159975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038293445963082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703830579119171 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038271952295192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170382537131066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038280203683498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038288344307984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038308849111372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038288077964148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038219187458992 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038253761228928 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038295135589943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703830081867127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038278345808133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703830406203114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038253203706066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038231846885554 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703836165769017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038277508529387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038314275439181 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038322508916126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703835128041128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038286751491638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038306147799964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038320827802655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703832543485042 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038322329389743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038339868430163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170383691695023 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038371670665176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170383782064071 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038336978428503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038352131409018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703837060994462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038295651337587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038359840303896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038390127540148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038299172003468 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038416603114248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038379026400718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038381718815754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703836845195944 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038362255613249 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038365418231027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038353114215432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038352597042683 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038393826502518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038331369287796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038390560228467 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038332031273729 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038349271497066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038403458429663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038350520581724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038393584950284 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038366704964936 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038424414628595 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170383063136599 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703840724646718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038347752498595 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038347203790316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703837013157644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170383734550849 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038411281779697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703842491969504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038419753806355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038424583059208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703840043104926 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038411777248375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038373267762186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038429298259528 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038428721143617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038460055270566 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038374761344044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038406296037756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038365320719195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038488828642184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038378951024158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038391888670656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038417683014506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170384974455426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038467989763662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038441013280425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038463905936363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170384267648635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703841332484285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038483169573038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038441071212096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038526750369443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703847962932249 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703843096646943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703838026665564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038435473180258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038545973141062 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038435829119414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038459275655293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038538801747738 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038495246762642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038497142345144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038532164055054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038463613570487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038526172948154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038514286773643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038510144526375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038544559261726 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038522277199497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703849863323743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038524699412672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038488761057036 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038481164258001 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038577689629275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038465842195494 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038426733584477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703846479209754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038495074438165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703854123914954 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038522948024415 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038490533899642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038525197743892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170385676574781 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038501253916316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038584091364595 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038585009160623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703848939838004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170385326516301 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038466467661195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038576579799236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038497478193326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038534420406504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038579420313082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038480699537117 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038544825144208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703856055072691 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038555303086478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038597224840746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703854778188184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038522338050954 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038581759390903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703858703299802 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038515366048967 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038532300116638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038578911215563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038596380405713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038612611863668 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038572514940564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038595265876755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038590113925867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038540944400382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038561096452953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038582047933604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170385514353531 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038543125779781 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038603873200853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038542403727563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038607165335473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703859409509655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038618680818285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038641964887757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038550777623995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703860047261775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038623419096233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038576588844923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170386251754855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038580383781077 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038554497123037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038626883703334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038620539587124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038556252619597 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038583198738433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038657129406698 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038561896355886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703867052647764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038598212031308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703861259816446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038651381499437 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038622459140262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703865317953127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038641187106607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038649674286188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038611151841399 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038538389147206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038638017405316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170386450530713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703860464281387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703868546950401 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038631715183739 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038661216469175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038646948715708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170386470544847 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038651453101206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038667614775538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703860130192394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038646573779248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038661913686082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038659820741542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170386862910188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038587112434267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038608948739065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038686355906874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038680508578175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170386214324868 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038686732370412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703861219292666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038630075405192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038627967527475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703864627275794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038680682299434 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703861825477634 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703868818963593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038654959468125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038634435319533 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038655437245898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038687515279627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703868773536853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038662629094126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038720144367103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038669798186334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703866985237713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038654887345128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703865600549601 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038679457824446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038719806774472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703864172671149 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038696694307587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703873460043568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038753225996295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038728333677633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038730925072987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703867729042957 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038714969871882 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038671909937153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038686185276508 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038676113553386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038669070739265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703868861956206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038716983956215 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038686558649474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703871071631471 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038732408873214 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038683051039805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038733651077687 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038736798526544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038711414836094 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703880796417293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703865862453352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703881162510813 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038646670689273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038681324295302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703870579315886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703876680147287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038734782691844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038714734380112 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703867414746162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038778704410174 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038741639297705 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038720527904216 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170387573842816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703879512674581 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038774889360087 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038728871677888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038765145686685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038753195067557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038772895806897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038775784548643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038770895422062 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038798590963833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038738114412855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038744721416066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038759500753275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038744355755975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038785823100455 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038788615781042 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038764793408923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703882155999138 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170387625446913 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038772515803613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038802320580393 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038791172812273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038769001357035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703871610066141 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703882348680451 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038806850838317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038758369657492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038788600843802 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038838045357396 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038867501271027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038827770104759 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038875102145667 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038813782042084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703884261895473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038769374654417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038885337076592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038818473484119 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703881364188955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038808298224428 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038839939750772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703886390131245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038846953583509 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038850781957204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038882339251016 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170388164102805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038875851421686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038863202593735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038884735588655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038863846429442 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038958856269126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038836646236433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170388983067583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038846173009858 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038858715737926 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703883587095545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038930250806528 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038877614820813 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703888141922657 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703887262776741 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703890611035671 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038885505506762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703887870477253 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703891789794334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038888523731155 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038911585599648 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038949897360567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170389229992138 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038860975354786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170389795544877 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038905951273564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038891254116328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038944799656652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038909916822909 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703894755372689 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038954126811967 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038906879925275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038886833909006 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703898840493664 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038945577652231 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038995894951092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703899412900043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038917407134213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038940926861768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039003646459083 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038951118977275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038910945580965 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038976454141963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703897315896976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703895074983044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703895881948989 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038931452160688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038975176311166 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038957925591836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703895836484316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038973708561955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038940744925046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703888481532706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038936717279873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038942065256324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039017452402383 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038990307978363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703891191214033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039002562998184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038968505316077 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038937988818936 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703901449033448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703893625470897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703899683066885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038927033070905 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039021187551628 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038970417400368 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703897551758924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038989729643628 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038960606880316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038956742982592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703897601061053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038968712128466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039023062457848 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703893747000378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038982264029756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038966064905847 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039003279626197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039001416556143 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039022995900477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038962469995944 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039062450695885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039052525357357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038954873961587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039013792173208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703898614330207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039010343491157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039020996764753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038997364077735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039044210479448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703904234615875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039072795780252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039046529044355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703906005092224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703914786592532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703904195741628 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17038983862452028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039092950630674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703898509596543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039071088186064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703900495932651 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703904549815507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039035452073203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039065450155122 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703907994474989 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703904124623402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039140923461749 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703912497730521 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039058363159199 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170390788008985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703907689635673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039061676424838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703904412178553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039098154779486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039028546674095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039132356291398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039135934260763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039072143904477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039080334082546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039097661461255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039122297995657 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039047643238991 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703912843499995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039124306098308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039099234895816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039101609566365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039065467424175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703914500476561 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039102978349563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039149544939747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039144046435384 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703916473999647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703910833194643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039032509049334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703907348281789 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039115791272874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039097831506544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703910430081924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039143929620137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703907312761067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039079534436996 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703910822087482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039174127268186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703914137871454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703919132861993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039138589211533 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039153178100197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039086538979475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703911754763292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703909452246678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039185144118174 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039134382809074 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703919179364668 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039146896106172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039200798916387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039107990555724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039171505844986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039127277127608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039135911388126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703913964028111 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039147723949088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703918149190199 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170391489138782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039112636452525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039107845915913 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039136974582558 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703913483193521 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039157825877627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039166115587423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039257161323618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170392093128361 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039128765722245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039200393291942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703922300768166 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039158173318525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039161272366476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703925723158588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039134490318553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039208973465803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039230393980775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039234973474882 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703914208628048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039144670035378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703920707974641 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703925010477455 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039198020510704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039216617226105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039238538172763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039209671278 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039230174956765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703922205019428 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039222886799887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039186191363365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039227419107883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039203860634422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039180810606713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039245118396318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039197498316205 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703920002754138 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039218347224494 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703924834477828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703924133077187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039210106243552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039236036705385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039230883670986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703920272687789 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039228718042676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703929801278533 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039250268706718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039244888180805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703923147945453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039219160537777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039284349133754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703925778290043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703922170190144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039208919611626 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039188397363136 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039264361392126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703925708352274 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039255002094378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039187211807316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039211669327292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703925276970487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039241022659724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039248832918752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703926883617849 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170392648391113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039353102503818 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170392313226001 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039266599216496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703932139537473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039263152165096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039288495133698 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039282429698077 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703923942000698 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039316458517295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703926839056733 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039337733748838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039227876227026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039246795702112 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039292540165896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039333597246764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039333953490632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039397927210498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039319950220788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039320831930804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039305139077865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039298789768453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039339666534525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039312434157927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039298037827744 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039300174697625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703928863102857 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170393062102975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039306630704187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039337276274502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039323980557264 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703928737098731 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039295921477415 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703931530814018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039357792459553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039330457509194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039376702116193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039335965594082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039295036821445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039342007755787 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039285586411712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039336306033515 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039360541914628 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039326130120125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703935422920625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039291219438746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170393192153114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039327954998884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039367575922104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039349585417218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039402228560696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039341123611063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703936540350045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039270203505674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039361017446852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039346773902653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039330303773592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703931622484085 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703935697270701 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039374639528426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039411948249206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703935811314915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039366854605098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703931634994411 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039300855911832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703936342891561 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039312847842814 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039384339351815 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039320422161097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039378654116089 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039378613368394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039364551599956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039391983136853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039338380773505 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703938304515028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039382827885963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703933549532568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039426085175846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703938497961479 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703938525379548 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039415813847225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039339479276905 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039403271233267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039408859407046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039393613663856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703938682575974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703941052831165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039346360985852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039350546901766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703936935808451 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703937723901522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703939384793145 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703934502954353 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703939771940577 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039424362135525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039420255399618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039368456547832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039390001254295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039366276373002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703939473745999 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039327524351477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039414213315884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039435485920185 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039439306409843 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039394298346067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039368254851706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039424277349835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039416828124143 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703946361826305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039445852040092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039455277620208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039433163686535 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039477162890604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039419116162546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039405053713663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039476354162353 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039434000415243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703943633348639 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039461072242434 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039457777355171 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039454251604413 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039456392032126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703947050094211 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039445545755294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703945794459224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039454164916923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703945990810447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039489361399318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039480368376925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039375166505766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039461804197398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039486737183196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703944835307717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039461865319305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039428841710624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703952952921628 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039512873746088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039527802128118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039520080342485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039475366531642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703950527634155 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039474246815234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703943056599707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039430340143125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703943388741176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039409087730228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703947510200271 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039476383265284 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703942242581249 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039504063876754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039453281721761 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039526100104874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039409842387976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039438546962193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039466970002592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703941845452518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039495025255758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703945341783345 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039494859986193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039512147026115 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039478917975115 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703951379543135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039529087845995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039502946542118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703953202731151 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039505465308458 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039512050876604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039534115428967 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039442638674074 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039523345547625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039547244948772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703947556827632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039502337496493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039476958258304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039516204680838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039500128822893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039507189655312 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039496773619156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039502412687924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170395405335523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039520900902005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039535980690335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039500909384075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039538467467952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039489558586707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703950661178142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039534421288405 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039525390876753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039577162337927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039563672598834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039579439996033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703954417041097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039519964724525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039527028111756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703959061837862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039580533207754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039545310940907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703957569130562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039523293104397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039507755011452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039532197485496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703958427079364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703962836270002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039641494957447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039597256423766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039590672473182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703955888018922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039586677911656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039624139129728 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039614891556254 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039657089873506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039602597873482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039645318936658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039565993478645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039575773916693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039658311139794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039590877926203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039627954334724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039562861517876 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039626214561754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039666552770105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039566419812358 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703963615337526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039627288901804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703962149478475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703964321506407 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039665685808458 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039718768281986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039641408173312 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039632082390654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039627835361026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039700702652538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039699403103536 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039663596911592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703967722083819 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039686211735183 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703970638652944 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039614319319563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039697817442734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039680700808302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039699351639082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039702243038457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170397143975616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039699570698463 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703961547408881 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703961459592237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039654879114496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039615190901758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039644785449148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703965631485984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039728009043964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039678025895788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039667909681644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039726914749176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703972205820432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039693732620398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039673378562648 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039690477896996 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703974037489443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039736978620512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170397844822187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039689431462657 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703968616909689 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703973595314079 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039702960769076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039635356104565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039778035123931 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703974317351057 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039731188803542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039732998794943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039697337624105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039729351390953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703979772348977 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039726649879505 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039724708006543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703974571354454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039702986105631 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703975557973214 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039759887732842 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170397557845542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703970533829251 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039750057911196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039736412724815 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703975340186128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039747276882888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703975216801682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703978323734957 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039747598679666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039802939098692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039715250105958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039764265104207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039746562580116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039765856786493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703978484624975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039719921629648 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039790955186085 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039728777713503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170398066225956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703978533415177 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039851089245261 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039784400081404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039812214342542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039787255217065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039786117137723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039808096033549 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039755498524245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039762676192438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039803631618244 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039785485333625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703973495585669 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039812106060304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039763109399653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039779402796773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039841581728543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039856143545962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703980660645572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039812872641436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039805943655828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039877857503116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039798140134865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039850601068585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703982785553717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039884834141716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039830039238524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039773486208099 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039820637937075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039816226557591 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039818020199593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703982724074482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039844626032208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703987816022018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039792950526944 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039845874567483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039854731932758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703983245573315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039912369245436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039868165261252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039846475848908 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703986475913637 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703987388506738 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703983105480169 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039916001472544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703985660434868 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039903214023255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039903901315168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039862041975362 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703985186000988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039832990005854 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703986841567191 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703986273719189 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039899951805837 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039860810912988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039881768461307 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703981890546813 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703989271194366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039929873704918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703991118616166 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039884561236318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039921627830623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703987221091069 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039900254672913 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039929330157066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039878719255885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039914765976438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039911379596984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039941819680648 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039904723431687 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703986468362081 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039878346129367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039966143179497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039898544791587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039891860781098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039844306721763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039890722221596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039855157868322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039949405177401 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039897135355542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039871524201788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039941740262532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039886205657662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039965206934693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703994578477004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039945926473898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039902221024072 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703993097075701 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703996786905192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703991234284602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040000340357886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703993829618532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039979475767175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039957068848421 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703995746368543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039929035996892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039989692670865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170399507776417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039999658007143 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039958303266722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040011004300537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039959495353918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703994054990079 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039967629961938 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039982556739564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039979005932737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039945888796415 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039983018720561 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040002727628867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040019842439225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039933386847683 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703991121462134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040042729136728 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039974206513087 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039955982236654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703993548681465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039979334320388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039992716182206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703997504066168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704001580398351 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039997591401246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703994978393779 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039960364492357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039949284598888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039908375088209 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704005880304712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040087545071547 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040036846852036 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704001197484286 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039994859815288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704000328955887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039984905862937 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039983167562522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040029849856497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703999908878152 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040057216893545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040005095098643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704000321399699 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040040177421778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703996708031894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040047728169982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040011496386742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040111300084915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040008014791297 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040012234514157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1703997905198379 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040035269991716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039997426903675 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039959221985002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039957460996946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040004360605965 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704004035781933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040052660917848 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040005153876003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040063401791383 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040017484783287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040042840208114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039963831857408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040145486982872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040033561945056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704003560697538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040065701506368 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040046092204486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040072512856996 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040077665697262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040041689359764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704006681008452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040039120885886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040059360532833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17039973253612795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704003243340515 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040099734499015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040116913853975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040107620897538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040051600367456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704009095040725 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170400409835177 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704008030564319 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040074913107206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040056251878954 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040064439939562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040132444611966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040140660965142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040112050651157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040129188814923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040069297043847 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704014000978279 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040098204409404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704014118796403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040085403237049 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040112955226294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040105450443466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040118573582097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040037220622561 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040215202853792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704009163192335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040063753183066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040188811977486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170401723098367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040165832977472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040164715252792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704019951166732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704019171161203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040175401068758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170401641973571 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040159814284672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040190182904646 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040105288822616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704007245280078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040190481058826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040202868601817 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040178947811613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704012950487106 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704020565466564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040189304535824 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040183504629036 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170401678881008 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040156042454868 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040141367219153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040178608572643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040196997262425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040175558905857 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040222782202374 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704021959080344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040209717900157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040204581138885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040176725959777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040158423766694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704018828402667 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040268307957274 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040159598441018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704024100143101 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040265968878843 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040212953602452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040214395217113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040233366002533 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040192744561622 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040269568004796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040251254788308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704025630514142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704024604611517 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704026449488354 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704020808175266 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040258416782839 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040257921691138 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704028094380885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040218297061616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040250791044764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040241046083748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040232214335505 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704027168689065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040228293752224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040291722749124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040274821124857 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040301557382864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040291304138644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704023587177611 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040191139662908 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040137407663825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704020562674008 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170401865917033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040293337302082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704027838653559 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040250038779348 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040265731151572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704018009917404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040214117372288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170402457207407 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040235197157894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040227951809672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704026420185606 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040265635224727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040238913411998 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040194708410772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040298395227005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040329469422266 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040221454697457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704025365773053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040204913465695 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040270564794213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704029890145301 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040290097629562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040220886839974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040337803974392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040253133085603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040262989239052 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040354816332004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040307196434568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040266073421406 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040264562375484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040276365276452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704030921209161 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040321469227937 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040379797489058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040282727764056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040340176032187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040320132919973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040334579090155 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040411240126851 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040318540657962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040270684298686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040361937616388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040370597710397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040395880446346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040340865883297 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040312663871815 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170403714490592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704035819174161 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704033537822922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704035337969616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040358402230948 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040402706197733 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040406429976662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704034721700567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040363540585568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040394320999985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040429514348554 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040315009340778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040363111546297 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704035196886603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704038917473104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040399790718874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704038892273394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040383096441813 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704041739325347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704043946303172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704043065602382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040349194679427 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040396090248577 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704037864779845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040383828827044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704042950073985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040376934277535 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040387484997932 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704039022907775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704041345813373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040319784076896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040440245828392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040369181812653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704039503480803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040345257117473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704037110311638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040391411889877 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040351700949685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704044341007842 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040364659117346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040374788288803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704049175363107 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040346414215202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040405669247616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040440424989634 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704039466762053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704040046899722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040435417034472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040426505551998 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040418804288382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704040787207971 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704040849911086 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040430877716461 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040397663779683 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704042313900198 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040412641802138 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040498286247807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040447205811204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040565288513765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040388334461132 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704050850752019 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704040236249077 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040466287356204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040471711917093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040447427132321 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040492004084173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704042578505658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040465478563482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704050391774331 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040501252901163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704048074497373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040484582476934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040515644467036 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040526169091352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040478993946728 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040508883479422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040553435367434 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040545626271786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040502416268377 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040498269476034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040540594150888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040506495818353 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040570204235617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040501556284937 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040465417132367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040465045455377 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040505898271996 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040525584944743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040511135441805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704049419538083 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040508237104524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040598641356364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040496953745132 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040570803593802 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040519908922225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704053196563331 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040506587695992 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704055145670531 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040511111040058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040507727152576 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040508778348518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040573731297404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704058033856266 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040555902191823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170405645244042 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040530841299972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704055193134364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040542842146322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040615182810903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704052261647665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704043917869673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040584679149917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040548934948374 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040529072001476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040619718983063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704054590386398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704062972808128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040567294795372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704061185147675 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704061953719529 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040552314343294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040611656316274 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040633407366668 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704060033434407 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704059596866806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040589727866995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040513301972937 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040606106606304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040590060884453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040563152193733 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704055803691541 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704058806720279 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040646079633381 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040574610058934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040546674772727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040611812208262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040579600769257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040589327111988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040558428094865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040505526166705 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704056649826654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040629925536055 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040536965775477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040590739806005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040557948620794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040577702830595 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040590005765832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040554618158987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040639597151463 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040649035866973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704056925456442 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040621039128379 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704062386256826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040645345565408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040684797934402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040607884264414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040571781952896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040588998470962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040653003547512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040636501981066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040646163821782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040614669999765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040647145803933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040611906540915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704055797539995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704059534704343 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040646976712692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040683076934615 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040652885938734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040598889078995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704072207077263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040660640040572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040630532698997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040659025469818 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040602602475907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040656088131634 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040644079986067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040660696964471 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040634735504412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704063561364383 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704060876292206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040639044874617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704061473056121 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704073024223247 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704061781038697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040656706376311 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040667498077866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040640364540682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040651601259027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040702858264045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040698333349136 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704064433927217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704073722416436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704068176635356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040810880888146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040699231825895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040739807281113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040705305504766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704067618212165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040768424584463 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040720479729032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040717330874822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040754194065388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040715286584762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040765203947716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704068611025984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040792308945674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040680680961828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040792958492423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040755389641538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040727871131534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040679213885923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040766139789343 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040737264814265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704074806332666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040758336061823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040750812910566 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040773648170737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040732023166316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040704033587217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040729756048778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040795107572848 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040740413624444 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040759673014527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704079841678151 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040767759375042 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040819779426086 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040720775833484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704078471249425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040744678600817 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040774755289156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040801896226732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040777337537405 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704076457629673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704079326157315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040819826965148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040803490820944 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704077680509788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040858333550102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040798261032386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040814657169756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704079943217235 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040818426118887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040773627380823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040815585224356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704079367419865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040816738027142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040812092082347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040809892556008 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704085950247356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040755186370704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040769222208207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040831195599815 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040814825050776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704079659128338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704082485525512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040803690644324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040837629553585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040860046903272 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704087078347276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704084306797029 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704084021289073 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704085089419568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040823492771573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704084328955341 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704080708838276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040809343020158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040846457653225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704090354483001 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040911708112394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170408635771499 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040919258019083 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040834492257118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040840176024463 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040832477805468 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040842167152093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040832645150972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040860177443107 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040886928412846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704089720450782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040817291841326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040871469831542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040846285873312 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040924110205846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040822386071142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040874213711688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704092976508157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040875636162656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704089009813492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040909739879773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040876296175744 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704092731436796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040927739793943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040922941374592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704092645686328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040871176163097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040878011648752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040914462347445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704092055972477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040922221469723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040903518604933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040938618442703 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704091162518282 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040928115627663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040951056280285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040914105420302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704089703275392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040928207827755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040902048280482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704088928288502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704096398500048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040877764773266 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704088312425227 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040869881475074 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704096963670243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040896105194647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704085698435207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170409032412135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040897906450903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040930036930213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040937815488744 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704088193783515 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704099115090355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040988489877584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040858335749953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040920472379606 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040945149677544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040977089943665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704097954523568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704096284326172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704096162966886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040929221432843 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041012373915587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040994712924395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040948539215028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041001340870665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040953176091467 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040940020151152 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704099392857168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040912344140724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040980287091112 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040957497166298 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704105434056613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040921772969087 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040966016380998 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040919786100162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040942515113133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041002570506314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041042192845646 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040954625535154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040982405685612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040939640944963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040939548764555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041027683747967 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040997442030426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040955826683413 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040952115722663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704096893162821 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040995019171823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041041533954837 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041031336611212 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040991923578164 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170409811889503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704102240208848 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041013444737496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040953088770094 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041019216399733 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704095461951507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040983734108872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704102887852773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041023917315978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170409964657936 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704098219959751 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041023850173098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704102471465232 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041036452039404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040979218530794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040980438872133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041001842318626 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704104403934843 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041029967655463 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041032415338164 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041047695520528 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041031686386943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041002748909995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041079329156106 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704110390099859 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041045056397064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041061517407408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704094652893856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041040190805934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041039147713044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170409861515593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041076828815138 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041027769736494 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17040970613597395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041066089869328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704101916622105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041079854783825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041052262143397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704108509260439 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041127939534084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041092247909084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704107170537137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041036492909678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041054921668874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041056425711676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704109048489728 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704108782067355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170410632672087 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704113834568376 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041099730357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704112884202279 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704112059091153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704107823834622 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704110588685427 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704105062360547 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041086601724298 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041095544760998 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041135568221477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041143816976778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041106807966322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041135343916292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041120823236588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041124403811814 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704113965354881 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041093263487883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041054052077764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041046763849732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041114879354002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704114656086897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041197445174316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041118133293387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041107180847725 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704110692346802 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041147514218502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041142112723162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041156300543758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041167498480192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041147825672143 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704112279504566 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041151095373663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704112600418859 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041162646071073 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704114962205886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041157353208558 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704110312367757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041134274399972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704109309658498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041189863050354 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704118795281574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041160775847697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704115306764361 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704119787679742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704121652328826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041169382310217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041146589192002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041142261466424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041151455980819 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041173214983973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041224619027573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704120333868634 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041195024125932 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041183860427322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041186420314713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041204568358337 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041175997280866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041157905743964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704114980192878 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704119890678112 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041188018872166 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704123032360657 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041181191380528 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041224650618436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170412079756324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704119084694572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041221399613482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041212754778712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704122821068912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704126386813396 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041230146310382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704128645134717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041203412663786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041235328654503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041210149167352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704119568898783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041230031917476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041219157998433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041215484733185 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041173617778038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041256671393146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704120270621058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041240907398703 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041215429760337 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041188575187494 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041236347636524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704124141393598 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041294154916753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041283319579825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041224535770372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041261955151144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041269897340827 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041290210141935 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041229115444045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041271641466305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041295022485037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041266261438837 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704124428808671 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704122615744591 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041310963043543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041252401912976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041290168170375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041275355873953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041255544292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170413170803297 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704128111907971 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704127236977836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704129269977228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704127818931327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041278415385408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704123111475866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041331288197792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704124931311929 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041291130970748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704131990020159 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041292577391587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041280344895982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170412935248347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041324292665938 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041315959921677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704130599114958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041276346311662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041313276355252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041283712331434 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041360539678752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041294296625498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704124222302551 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041333019445515 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041329048979958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704134389898282 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041270956785137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041344391850743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041271911725453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041329833443808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704134044800938 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704130744609006 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041328892327712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704135662979661 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704133786440386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704141021956107 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041371219003687 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041363495502904 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041334047312484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704137743635249 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041337521942435 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170413229443089 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041302043186013 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704136005024851 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704141587291842 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041377394394175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041372977423053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704141115265736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704136694506052 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041421771402743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704139733952067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041408272627923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041443571715675 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041355440648542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041393225005907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041380557469532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041423616942353 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041414315572723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170413749061197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704143987281206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704137447981977 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041401824569646 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041336020536502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041392060261984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041401399510303 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041386286063764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704148720061449 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041400598461331 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041476295987423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704146319376777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041436398602994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041401219474384 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041458662705367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041463652587552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041477057668275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041486357981395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041444323601118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041461918000145 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041555903942252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041442608887258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170414404708488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041477608086986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704145529384422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041447959312805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041479094771594 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041513942337816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041483596041618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041487712084846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041487385647758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041511894757078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041457440287222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041434912397802 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704147135718127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041385829523825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041524831397448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041389592608636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041492187083707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041437275537896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041517897790093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704147717238429 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041502422303711 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041444652624937 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704154884246225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704148325401158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704142405107255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704150904984285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704153078645706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041434151928758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704152109537238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041573111864305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041542099505724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041522828379585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704151977883661 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041543666142744 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704159211177091 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704154619477145 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041528284429774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041546382298256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041553356768901 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041626873045546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704153326038036 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041520386414233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041608328833202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041583274463945 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041593588464943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041609446672057 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704151892197292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041553805137866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704153433942912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041542641783336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704153800916688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041483645617228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041562646960196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704156485372622 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704157512916875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041559790648664 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041593662661791 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041571351330154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704157625158047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041533734612746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041556117350265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041557402237417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041521972118645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704155789473344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704153797208552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041566991936763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041583493235757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704154512933751 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041579471861512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170415722418912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041571559439095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041575651299812 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041515767805404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704161359069618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041522746058457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041570393399608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041604048397563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170416172286046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704161036904056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041568293129217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704158167737453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041606592458203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041627431118422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041624961784685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041617144284693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704165740908169 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041668401202992 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704158860931777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041658089728962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041625028611518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704161062539603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041595315444014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041684662525347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041669147048588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041649230179867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041655338913075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041676504824632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041687430891572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041616508956314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041670025338085 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041576292880223 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041671444044482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704170146977959 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704161557925462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041646441513103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041668870302795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041694713480504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704167090559935 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041668914903862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041681896353644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041692153415433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704158687115639 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041620192670381 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041631921669853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704170538352925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704167731325148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041702420045624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041692170136524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704175502239298 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041639816651666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041676216625679 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041698642785041 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041644095897612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704174017488097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170417137638467 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041645158944985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041693940746983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041691374320844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041706057764616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041688038457037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041660541114245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704179031886376 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041736322246392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041711073747323 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041591573346848 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704172390720058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041724742215092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041709350850243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704177123247116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041746974782446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704171933500137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704172482948375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041689762286383 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041740046320542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041748070115348 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041719810230105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041743652691577 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041727103502147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704178449944973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041739425229496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041791713396226 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041728627390718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041762488698886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041785867048842 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041779560190196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041760195909783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704182220609748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704178181073095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041758914984484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041751900130553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704174164863339 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041776652762386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041739082103857 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041757512143774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704182275054119 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041754097054462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041722185320218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041775175433915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041784290311435 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041796984938695 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041778572485689 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041732172757496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704173923422414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041680547937832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041759690824854 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704175654881046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041734664624208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041749521748062 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704176860760892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041752779544106 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041770794410172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041744384001245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704176126801168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041802080859736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041852082265885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041791914367999 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704184528417615 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041781100300235 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041772593052962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704179518276292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704173966366217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041811186422973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041856787734722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704180597500612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041821598175322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704177876679701 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704182073889069 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704184472502721 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041812213443963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041831324661294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041861648489887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041877740882838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041899563919127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041838380907726 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041902638131878 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041883120682721 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041884475355906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041780467374046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041841403187818 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041907912418808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041899068194133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041910242302116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041901413577176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041807082821048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041864150490582 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704185800429432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041892459353458 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041908748863643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041870965522987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041919672490324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041871862831792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704187803312761 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041897843675247 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041895933999707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041860989411972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704193000203933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041920606423966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704188366488748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041890742033117 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041881244127266 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704193038127274 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041946860258117 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041891715312962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041931180474457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041975428360057 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041980778337396 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041952915817216 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041945495753108 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041930624611867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041908329031863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041906502084825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041961760726987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041973741476046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041950567956599 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041992652385507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041976170015583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041946187684254 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041988208380987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704192465550799 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704194722556357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042011894870357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041988306932432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041982591480775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041987825902116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041987275976722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704197264282481 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041940434390712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042023134019324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041996584795882 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704197284229193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704204285199118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041991139917256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041943981146113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042058088002154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041945773361344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042010996383872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041968133524155 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041986390812958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704199338291198 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041975760417627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042016851899144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042011130043855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041984234580454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704201577182739 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041936546187242 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042006265829635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704201628627805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041964368925933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042057093273355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042026919645736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042074917295202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704200368206915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704201085373237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042011987264982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704199581447895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041975387279618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704204978020406 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042013756734287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170420122242663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042021334460644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042008746786863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041990259819806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042041758620863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042043953350905 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042004911023478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704204584806871 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042031061190488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704201252236911 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042023008576923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704200744068597 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042028325847092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042044383811306 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042002626669706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042026635022178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041995578854963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042030059383106 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042047494550594 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042024462013872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042032614574532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042013599256367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042077852766058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042009646642964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041986722137903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041971583323556 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704199591068435 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042076918078686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17041998300000127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042069747070765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042115625233978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704211189467133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042090755499262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042036427044893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042075198149853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042117441941285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042057520795262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704210964723435 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704207286415398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704212239501388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042026953660594 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704209622056212 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042051171089634 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170420776408727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042101304952995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170420632751919 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042099361412844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042102777666834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042054794635475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042076174194976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042136647025108 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042098749933376 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042105203018199 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042119657092303 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704210511525195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042158622469894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042100054156806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042106011670632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042172832153535 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042134626430816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170421103177811 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042151304029451 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704212058235821 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042163620809014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042199800769753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042105385271156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042138551216346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042160849697952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704218126055258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042183867485183 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042189423325715 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042146638597067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704216594514183 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704220191474789 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042133676572924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042194779976394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042150384400534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042187756899352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042218270400356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704218972454743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042188244436962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704220116796613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042196522330377 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042165274051735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042184791426718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042222736223334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042181187066796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042215482073442 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042191607926327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042185522288067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042198998967295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042198457666557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042170409318258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042184757167145 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042216353413142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042157842983052 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042145426131017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042166917105328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042259383737213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704221307360574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042232447525218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042195112377712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042198490902372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042172575723158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704222993346809 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704214600050138 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704217670927093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704226152416599 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042205029937985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042209213417436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042284071907987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042209222590432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704226096260516 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042242309857125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042258556494505 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704222934295907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042299536825778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042287929763322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704227215882146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704224635866709 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042269815569688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042238542843124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042284154865683 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704226654112837 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042275484011482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704231943094534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042222115488304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704225876175719 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042300888558548 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042284521811857 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704229520365972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042265046405847 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042222380117444 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042255335829037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042242993820556 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042286828658815 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042259705542995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704230489102313 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704227704931277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042256909212106 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042263379221678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704226431814272 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042273248908502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042278962692492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042291532938436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704228598750439 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042281347862354 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042335742165737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042262015483334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704231156497057 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704228980737751 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042291201085957 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704233662607023 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042298846097526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042348953921627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042271941825893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042318580028126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042283334072494 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704231966992822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042297292845177 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042226566933982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042260314976465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704223976705984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042271370503181 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042327855822992 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042318630173925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704238311621431 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042291093240525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042267127750554 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042304517307083 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042308722765898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042370771457505 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042268419317985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704232208294093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704232778658875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042336637989708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704232315167572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042361961279262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042315376080142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042364280866096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042271557853983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042297845895904 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042355410525734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042337218321046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704231613154592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042267430469038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704237994885095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042314218115462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170423386773205 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042370811550844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042374033498686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704235955492972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042380084563447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042358829054938 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042382463319872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042301089829093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042328317000865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042345594937647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704234845844096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042365499864942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704235495212325 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042343233978874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704240411519229 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042408087263572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170423890382436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042391337606866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042318537943646 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704233374996903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042432772261518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042331327572124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170423791313844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042327648418354 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042395256875098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042392518668537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042453623809428 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042417717679437 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170423855461319 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704239808128586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704244309600389 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042388891474025 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042421501545135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704243295093908 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042406955162204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704244943104707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704244395545219 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704247603792527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042359254985473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042413717331617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042404915816067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704244111671177 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042493178548845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704239645579243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704245956888768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042443930329432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704241159787867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042405656866377 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704242815851258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042480135826854 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042514163696942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042427353224465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042463154737209 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704244527768588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704247082843453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704248103761724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042464572567972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042502750635258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042442256266244 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042491771372503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042383275408812 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042530444874693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042427426504148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042492945661059 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704247581853846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704242218386094 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042527718863065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042413793628086 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042552175078063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042532699092927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042471895876998 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042472830334587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704251648927647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042541052753102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704252348510975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042475321495576 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042531316539522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042483772838224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042538836297605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042544276688443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042554332562243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042516352958426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042556657392527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704250548694688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704257266746847 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042509715611331 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042559856768724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704251799726475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042506673389057 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704256079311799 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042529721663802 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042502406021154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042584915864056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042511698632512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704255023294775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042539546723323 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042593358318237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042511967171825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042538942022367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704261832345657 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042600908208383 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042541608953732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042543958142786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704253255468734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042530714135162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042573784108095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042578706585665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704254771418755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042579841326488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042620891596705 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704265396046466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042614406020085 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042550843554094 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042610879504327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042618157196432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042585571525604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704257453950817 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704256030043909 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704255057855365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704257611728578 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704262475366285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042608053389885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042591201645363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042628195852672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042617200460108 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042595553637108 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042671044893198 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704263673636146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042637457383458 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704263260179235 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042621879278952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704264602407306 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704260725455925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704262792813127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042621017756088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042652976461592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042605529079935 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170426281342815 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042601167509552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042553236892632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042558125159324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704266951642165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042657130817707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042601400604984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042575981991348 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042621363707922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704264342622579 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042598029684697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042641271153602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042642071569492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042600487819048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042607647903196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704264082635295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042659845279629 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042639372823687 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042657818588824 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704264955891328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042653265230845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042689366090635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704264144016696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042630382692459 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042694589490137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042669085673923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704261593971621 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042688492127078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704267727396076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704260099396524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042700535151656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042651024889366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704267144994982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042606599528864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042645763942565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042722574905034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042642644071515 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042670558745032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042697196434664 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042591112549943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042644734762036 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042659513587188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042669942401978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042630346159782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042673496848904 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170426616799234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042591073007662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042647940722488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042673972638245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042672650306856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704265676998582 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042704822511212 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042674956549198 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042699615233126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042702021722667 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170426723683897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042692882810118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042664552765063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042758169629268 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042751402501066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704269629184778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042673500637218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042712852847797 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042722508041752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704268746912304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042677307733545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042662549043164 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042725443344542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704271682374323 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704270758986426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042713400782628 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042677313039678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704276399833251 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704268203423286 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704268483022735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042674398658197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704275752081903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704268775849226 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704273743985789 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042756994426167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170426637997932 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042689312938375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042678293072755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042637288235252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704272017331564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042655067888313 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170427396587842 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042687687223135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042729996108397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042774398577232 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042784113615317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042669920672626 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704278214656596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704277800370203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042749397810686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042696063292384 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042776032133322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704274190877334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042709423031221 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704279385536741 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042773653447774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704275211424905 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042774830920104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042795359071694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042736912230527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042804502945874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704280560180863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042701670433047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704277920924785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042745099673906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170427875404366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042792560536224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042806411618416 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042763217712809 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042786751856465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170428371792276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042778734309139 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042797909540897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042777094046013 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704276152037858 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042832547596198 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042741213527823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704286139554385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704285679128663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704279876618202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042811530042123 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042813859143124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704282740282579 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042809214787558 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704277620144441 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042749535673318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042795740691696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042750064606071 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042727532151813 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042738372000765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042776858865616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704284781634713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042762911082554 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042790244874795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042812825166986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704278127243849 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042839294416023 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704274315343709 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042858335272215 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170428365611493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042805868105493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704280610747585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042803970584808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042848599622085 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042812028624932 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704283754125553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042762326534366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704281071286754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704282556075385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704282916636065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042815796167232 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042833381020106 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042847293524188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704286399286703 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042840395865044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042873330527097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704284321979651 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042865006328167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042856072873624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042869851651754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704285012421619 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042919403074341 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042900659252536 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704286619786466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704288496847356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042865767793314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042908462812956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042899417183777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042905938878172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704292087604422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042892795276665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042917725757334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042890377974285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704285850457924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042832169161115 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704283494077563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704288942032849 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042869486055057 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704291442281497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042893290325378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704289373561898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042832514137052 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042919175540483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042905103704709 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042985298826507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042835757950248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704287875732532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042917346687492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042904133182346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042980200695745 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043004043151666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170429447232036 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042928483819486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042967390313024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042961347961028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042871547177707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042968852058238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042963631322827 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704290456974703 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042979627024224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042957747210152 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042963114558596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042947923765972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042997774359236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042964431825325 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704298522567158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043020326975455 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043035250520433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042952928567545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704289855470683 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042888855371952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042981719324335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042888637350528 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704290277557612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042997563387252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704297737035232 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042936829540234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042969322199664 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042962334255962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042987131638843 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042915292738314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042971989117084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042900851875964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704295016119305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042954997712656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043020827756805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043009173401624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17042979195448282 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043025246675736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704295144923249 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043026211490953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704295694124187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043042493061356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043046629893788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043030113499413 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704298820711666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043008001679338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704295151507308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043013072492108 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704302076597809 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043015266207207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704303569413388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043028592492093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043015381198112 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704306077320339 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043035782291838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704306405690521 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704297694817033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704306407832632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043000028295907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043074237971667 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043091818616096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043003622989283 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043039861370302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043104817771204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704310826764901 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043118567105597 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043058726495275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704307284110853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043109375562138 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043080270976363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704303707310204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043041195700626 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043023787530753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043036469639572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704314925474768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043068237867165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043077379330684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704306844998018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704313566578909 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043118288209902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043050115068947 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043122348091022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043042468645975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043113507678076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704305998177872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704310414518012 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043111491916196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043085959701765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043057711270515 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043115263666098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043049764179297 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043115293148214 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704310174797955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043087900202414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043092237153645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704307787172552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043151573644022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043126633202854 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043063145607096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704307601677446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704308380984363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043138927975654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043145329854492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704316106034265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043141551039465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043129124043277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043126526372543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043195384468957 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043194665532901 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043150494340997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170430880981308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704312547643655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043148464544722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043174004178996 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043151200968143 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043181089505777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043204028091263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704312075798058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043168449675605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043125116056657 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043119557338848 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704315979137523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043171383572808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043119943278084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704320324805182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704316062060529 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704317143685492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043092773752067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704317296531489 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704317246778878 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043162983556004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043192382267158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704314583136176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704317675577971 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043185922316983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043201891674098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704324249394188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043207342802458 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043194587525157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043225103314807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704317673724608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704325834155619 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043143581114428 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043236850616283 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043248072218786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704321794761401 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043165645913383 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043230688783717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704322997983322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043175757237927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043199139669818 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704323169362515 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043264816588743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170432183792113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043227312647213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043235142566782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043242452517204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043187334325527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043223636765337 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043187526868875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043195222404628 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043196039288655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043262034634754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043227964225605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043264898552524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043277117080202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043230049170421 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704326466177889 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043283529947573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704318390997538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043213016906134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043245129664253 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043296254227902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043236427558373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704320623979334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043291200112964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704328142332916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043256817788655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043282064008736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043261176946356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043230716799807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043287818286057 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043302470553534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043261981225655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043269778849712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704327714092816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704328064464612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043287108310623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704328722532693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043286833001736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704322372367102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704322363795544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043275301074978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043250430498957 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043269068257805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704325913494814 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043239173908087 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043308406889546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043299767375675 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043249674280148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043254454342516 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043264284501436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043238157510077 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043257591983163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704327269858973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043285319921986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043262448768637 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043267661721573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043272116350627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043285350199877 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043283030058265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043290502875363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704333947444533 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704331921651392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704335552034273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043324010787697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043359717345685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704332774301145 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043306760071542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043260720108966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704331328956391 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043296827067822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043297677223312 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043330929048917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704335220237746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704334420317114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043416274816814 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704332199711197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043327344118875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704338344107782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043376646111408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704334429500065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043381275148983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043377823089245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043306495376942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043342121061067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043295617241117 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043287486862457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043352486562746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043320637104398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704336826572057 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043275023244242 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704341711596007 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043313596183507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704331562942495 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043361001193924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704332340584116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704333414038789 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043303990026004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043384482865398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043368144304294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043364317831744 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043323821736367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043341493699182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043361649058586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043317804815272 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043366155808048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043358941641096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043359097230149 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043369313838785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043350126844536 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704334276220546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704331758773362 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043300677868778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043368204304732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704342378520871 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043394433084746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043396599149763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043447815259216 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043364554233043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704333158389646 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704334045692103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043393914755467 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043303474013627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043379125099178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043352456302352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704339792217685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043367440949775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043334238408014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043346234725287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043382994185652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043340830044817 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043383763619302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043344639386881 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704337780761609 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704334920733065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043315503151202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704333476198836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043434937891255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043414354496123 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043399361431022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043373582903343 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704344715690559 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043389753860105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043384619363355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043427476036055 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043401295313265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043411247687135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043401903452737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043452613241306 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704339653221002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043455810749464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043417837644437 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043434421093906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043441486606115 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043390381589374 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704341680054836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043412416931025 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704343786149436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043446850314936 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043445223499198 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043401429642624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704344758654721 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704337858504119 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043444304290256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043426022168584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043509903081622 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043419471704413 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043442147386734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704345133052224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704342936914348 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043394145197155 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043452582592744 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043465189137985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704344554477173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704343904035539 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704346933160148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043462325265646 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043434638724764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704347059853183 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704347956704776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043488968975795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704346200152499 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704346948922093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043465747973596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043483616435262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704356330055986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043470201083843 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043503314413921 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043478157754244 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704344668895491 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704346158555755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043490127600613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043516627049105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704357413769617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043466722354084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043518440170524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704348767501066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043488504932103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704352454105872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043469639167386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043571970787763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043466135243834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043574356501456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043529218518938 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704356927086299 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043505668083747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043532932624383 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704358761535918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043548211990012 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043485872367825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043558339754172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043425473551865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704350663196439 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704352016833206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043519198756263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043555531361643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043537748395776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170434993922584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043531299716652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043505275353832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043515147021482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043525061842368 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704351949775198 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704352068855559 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704349975490944 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043501494395863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043520301856963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704357150585647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043538492301746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043546658786446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170435313458149 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043525359175093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043562184475103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704357545252757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704353369275693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043593704801907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043546860276237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704358732896447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043555422531464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170435707503083 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704356147769024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043536967218997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043631734903153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043619432101875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704361786717643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043632004457365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704359799090568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704353881337587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704358891261053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043583442788302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043544879870476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043571905958277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043635780814637 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043636873307622 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043627362697744 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043646441618165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043630183185687 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043592127613538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704360245883899 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043652323570246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704356668829633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043651420471606 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704359113754883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043594062891199 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043651870181364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043587794312498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043592080535563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043624399122792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704365145489949 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043690242082132 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704365786170683 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043577390267395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043627450190968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043623882975845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704366014769254 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704358079425492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043636401043782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043587595700116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043648744656392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043608254305953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043610354496463 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043628665044874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043660226361568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704366775576871 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704360131329119 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043620321663633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043658331447575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043670351768414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704363958163474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043720811081187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043578918221702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043680401232741 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704364852794118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043683002040233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704368598825199 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043617303613767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043679386349886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043604811420154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704370268428712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043642471552278 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043622167694417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043734963862012 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043663841184753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704368965334656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704369585991411 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043726641990098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043637939803424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704370820570008 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704369840316532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704363661190792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043744449955955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043717018471438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043699016005565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043639707695024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043739817048198 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043643415004361 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043717716578677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043677931054213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043633289195648 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043734793428322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704371186987541 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704369895616774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043686503833555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043775799169858 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704370972520799 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043724325803722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043686634397415 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043683886491467 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043722380311443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043674900571004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043751567237408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043738117491047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043718161138266 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043740364838322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043724657740322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043661053372272 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043658360349145 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043723613189543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043770624326282 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043655237194555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043665608522252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704368991080677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043742941510576 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043729686250375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043757194093268 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704377975914798 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043738858082969 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043735348565248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043769926709218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043765507810726 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704375909613537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043790520276603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043756120590392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043810023039385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043790384633195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043770071721398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704377625631034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043813471726033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043772062506446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043765927575583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043754093685348 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043784428931563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043841318731046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170438070205159 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704378627578933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043735271445637 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043818549843381 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043765135571864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043820916825558 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704377698492754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704375303560518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043736680105925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043797612763478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043753512536997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043797837147734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043770742787712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043779511478385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043796903507447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704376931600603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704381175522861 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704383091288496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043846902919702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704377874904005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043805285115854 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704378724347101 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043815923892147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043815432013865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043803370426658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704384095338507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043804955875974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043863250281532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704376996938335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043803487729403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704378970949162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043857417606534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043869736557127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043863267529258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043830358102452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043852125001702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704386917873506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043885990366547 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043853815344157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170438388910353 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043848937855866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043850319726317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043813601663493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043888404721452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704383843416717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043821938833614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704381070418426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704379207681611 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043825239143318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043867543876356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043872273240412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043867211952501 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043913191331972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043919524021822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043889878473695 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043920177211114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043929226548982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704389971597987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043898648502986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704390055978433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704391237933519 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704388111014361 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043928081485982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704393641806159 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704393964212021 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043918162838445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043872006904526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704389645629779 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704396840111757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704392618632653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043921999302591 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704398117936189 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704398701980685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043969408525061 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043921931828498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043979662272335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043924008544642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044002632967126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043907224116328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044003652350348 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043963361717607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043961760239046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043911046002602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704396851818588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043863699654915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044014522235273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043922064803496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044008458501636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043953854762972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043947482572852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043994715404842 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044062470200438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043933665489763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043983240381844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704399175564082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704398247488107 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044005648482652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043964118327637 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044031310553065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043994896427572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043949411854487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044054166668343 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044045790246065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044084658335257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043968141739008 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043965731122146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043970410161124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704397971452598 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044006334151873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044007264625083 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043966125942533 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043972627572168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043934208666467 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043990326768987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043966686508316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170440042621543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044066715249218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044026737053264 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704407291710206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704403244764061 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044086304285966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044070453159865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704406426845957 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044020604761678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044009855748332 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044036838302734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043985816093776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044005871568202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704406158641193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704401407535331 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044074004857657 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704402080189903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044091661393024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044077494196663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704409340849149 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17043983290327624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044038985352095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044041912541696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044072711450553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704403554951014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044023537220876 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044074206606685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704409180295483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704407202064535 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044135078318645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044073575829777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704405054989253 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704405966748691 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044057532602086 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044074151353872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044119624650356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704411422363914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044076461332647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704413991537823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704407680232395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044107027330102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044002405025027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044041729260995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044125784451147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044069975177933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044105814685684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044113214490408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044081741026307 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044129382201056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044149471814285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044101176301862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044099972533178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044174214593555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704406336957498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044074819176902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044147189884717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044040916441328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044126432276618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044069818429475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044023491392724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044159501202927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044033298906247 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704409329935206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044121657660982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704416635268673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044144892110635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704414937324914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704423729286706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044155012120932 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044125440049618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044147503182627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044167442347502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044185409636914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044138411215326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704418380689604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044129742232794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044099416351832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704416141786501 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044148826856576 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044183190409679 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044148753567412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044097332938357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044189208249072 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044135797273607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044151739392566 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704419019069925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044178579990155 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044175618698731 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044169521298502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044185598313022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044190460191377 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044159866667086 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044152090690545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044104616423184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044074997372483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044164119242344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044132911135512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044258726102868 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170441742346379 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044150413774561 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044160304602995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044186278786344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044166784231873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044160113137985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704415796673191 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044218059391825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044226989796485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044211064520276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044225443870453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044231357784523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044207730616168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044227572595294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044203789112256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044200139743992 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044260407310674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044222554129385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704425319609112 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704424778527145 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044227065111228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044157492229184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704424984478533 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044217509989945 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044209567646218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044250047849674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704427300599196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704425505033218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044274250439562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044243503805123 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044162508740668 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044249977586534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044198033525682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704427732640863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044255504156225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044252964515194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044276919305779 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044222891612426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704426986522225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704423650814565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044243591977482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704427868515067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704427498047707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044268380615868 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044202304148848 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704422256710192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044286378025897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704430204977906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704423837016531 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044271291796098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044342997972484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044263747386068 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044279829114883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044314740027966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044270132811745 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044260632335917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044227376932608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704429759362618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704425192295176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044248534314588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044294272954352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044289020253622 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044300031794912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044262928462484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044324799657407 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044353494923026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044307112933477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704430140116181 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704435366659628 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044327664969605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044289824956627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044365171518205 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044327122308922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704430815346557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044358335524934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044303382953485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704436396522392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044358320027886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044271132903077 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044354105842807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044321748821956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704433220978666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044333814048152 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044360699664773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704432711148881 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044320909007604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044423757061788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044375709186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170443428065163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044408779702624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704436252005742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044367461841559 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704436151119021 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704431790119697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704432716343407 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044402599883257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704439376768908 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704435729982724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044377178938575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044375436526848 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044347234860424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044352133089558 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170443845112474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704438693965098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704434011091509 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044395887145636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044406772498044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044347897589818 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044381210904558 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044346879666095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044372915644945 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044404036582672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044326988429093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044429801921446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170443849878523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044428593282512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044405136581853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044414117268625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044451587196985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044433233450706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704445701443117 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044444373419665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044394803541507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044350063211366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704441377227346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704439313257463 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044397261174993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044414985972867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044392140989117 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044446190299567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044429358926128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704438159159788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044445353113458 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044424720890206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044385441645438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044368341565574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044421257446118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044375483634666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044370741864823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044456303958366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704437713584036 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044406511399246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044354919801485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044363112871375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704446425190992 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044494393186027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044414143648545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704445582627826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044469439057475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044453996459563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704443657751874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044513797002803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044411846898833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044414081660286 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704445039003205 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044432695909673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044503970901426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704443397610973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704438390895755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044439204635242 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044494807117916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044453009022342 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044444912497658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704445007933607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044463998859694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170445145840333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044503563701063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044490957468317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044502181352872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044502773956283 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044497128438174 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044514521941168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704454106780272 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044540556935617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044458909431703 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704449028132512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044552064484053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704455586151462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044486247129653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044469577711874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704452003352639 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044486849812956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044540971528377 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044483152136758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170445803657294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044550058713104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044521337478813 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044497810440806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704453438029938 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044505941121701 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044533663778139 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044522457981715 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704455850566765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044496559512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170445255021069 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044495304051444 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044538807696485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044640408315515 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044556469086813 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044570488882516 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044503093863894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044517136626203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044579158027917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044502373474135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704458181495141 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044564950988628 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044619528874716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044554492899822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.170446504224102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044596700372294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044552842064076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044629680816314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704467246614021 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704462297033389 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044602205081794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044609283258838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044603065568964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044534864299365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704457900099191 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044633016537725 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704466155042974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704456817321809 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704464228093896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044635714332523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704460567052487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044564384954353 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704464016529399 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044609648225562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704464111089704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704455024068683 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044644467254755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044693484707218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044601283096583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704467293722357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044667739861152 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704468093772492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044640868255279 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044629152227986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044642603234228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044680135203183 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044661260659033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044716367017054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704469417270159 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044663446659514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044634438796957 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044722010135838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044684185491932 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044654022709493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044701674161 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044688977967293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044699806188124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044686169106893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044644261070374 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704458300926286 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044676383112334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044754787805083 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704466132745759 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044727999652565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044725920568704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044715215928985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044743523538464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044760530702507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044704667959076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044701631060644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044755285656732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704483528721913 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044744259591815 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044720693366922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044754819386543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044722929819756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044784558113824 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704476999159381 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044759774179896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044725484252088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044742653902123 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704477127307401 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044757250842846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704480790707028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044826191093088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704477492004709 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704478518141338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044798969061448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704479910784895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044740426003657 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704481043123638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704477727107777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044817556567649 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044787846925924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044706796968412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044807923581773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044796812079321 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044780787788072 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704477790951513 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044820159857643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044734302205833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044796719338373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044827302943677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044751455015206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044796086669378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704481610715035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044780651968905 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704479986088917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044827288837228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704482519870696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044858293310494 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044840166871844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044852209684358 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044875404284898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044806856027506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704486986806073 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044788328112503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044856371662165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044829944662965 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044896663707299 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044827199174195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704481060989157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044864659241132 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704485624737646 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704481014324064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044841269230526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044784305848593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704479981960303 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044816412477048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044877620083498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044925544243983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044852888625306 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044883129028687 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044834472131654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044842428966167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704486634646044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044847339082592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044919638321054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044856862353763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044837003095725 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704491491640494 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044879292332205 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044824335294284 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044903103107678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044856054971813 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704489228499153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044851097115177 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704495178967157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704486374686145 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044861867083327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044835110915557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044933109993932 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044948665271653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1704491178114248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17044896114275654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' {"realtime":885.26,"usertime":7730.38,"systime":34909.11,"memmax":119508,"memavg":0}